CCCN(CC1CC1)C2=NC=NC(=C2)C(=O)O
CAS: 1114592-17-4
이름: 6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylic acid
SMILES: CCCN(CC1CC1)C2=NC=NC(=C2)C(=O)O

Molecular Processing

Molecular formula
C12H17N3O2
Molecular weight
235.29
Exact mass
235.1321
XLogP
1.8
TPSA
66.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
64.22

Supplementary Information

InChIKey: SVCUSNWJHMXQNO-UHFFFAOYSA-N
동의어
6-[(cyclopropylmethyl)(propyl)amino]pyrimidine-4-carboxylic acid6-((cyclopropylmethyl)(propyl)amino)pyrimidine-4-carboxylic acidSCHEMBL2770688SVCUSNWJHMXQNO-UHFFFAOYSA-N1114592-17-46[(cyclopropylmethyl)(propyl)amino]pyrimidine-4-carboxylic acid
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