7-Amino-1-cyclopropyl-3-ethyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyrimi...
C13H15N5O3
142557-61-7 Copyright (C) 2025 ACS
 21 23  0  0  0  0  0  0  0  0999 V2000
    1.3337    2.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    7.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.8737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    5.1838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    7.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.8737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    5.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.8737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.1838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    5.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
142557-61-7

> <ca.index.name>
Pyrido[2,3-d]pyrimidine-6-carboxamide, 7-amino-1-cyclopropyl-3-ethyl-1,2,3,4-tetrahydro-2,4-dioxo-

> <molecular.formula>
C13H15N5O3

> <smiles.canonical>
O=C(N)C=1C=C2C(=O)N(C(=O)N(C2=NC1N)C3CC3)CC

> <molecular.weight>
289.29

> <melting.point.experimental>
250 °C

> <boiling.point.predicted>
522.905±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.522±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.261±0.20    Most Acidic Temp: 25 °C

$$$$
