2-methyl-4-phenylpyrimidine-5-carboxylic acid

2-methyl-4-phenylpyrimidine-5-carboxylic acid

CAS: 127958-10-5

Formula: C12H10N2O2

SMILES: CC1=NC=C(C(O)=O)C(=N1)C1=CC=CC=C1

IUPAC: 2-methyl-4-phenylpyrimidine-5-carboxylic acid

InChI: InChI=1S/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)

Composition: C (67.28%), H (4.71%), N (13.08%), O (14.94%)

Molar Mass: 214.224

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	214.07422757
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XKJAQESOTNACHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.37
Topological Polar Surface Area	63.08
Polarizability	23.58
Ring Count	2
Rotatable Bond Count	2

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