2-(dimethylamino)pyrimidine-5-carboxylic acid

2-(dimethylamino)pyrimidine-5-carboxylic acid

CAS: 180283-66-3

Formula: C7H9N3O2

SMILES: CN(C)C1=NC=C(C=N1)C(O)=O

IUPAC: 2-(dimethylamino)pyrimidine-5-carboxylic acid

InChI: InChI=1S/C7H9N3O2/c1-10(2)7-8-3-5(4-9-7)6(11)12/h3-4H,1-2H3,(H,11,12)

Composition: C (50.29%), H (5.43%), N (25.14%), O (19.14%)

Molar Mass: 167.168

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.069476542
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GQCWZXRVFHICLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.35
Topological Polar Surface Area	66.32
Polarizability	15.77
Ring Count	1
Rotatable Bond Count	2

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