2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-{[(4-methoxyphenyl)methyl]amino}pyrimidine-5-carboxylic acid

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-{[(4-methoxyphenyl)methyl]amino}pyrimidine-5-carboxylic acid

Formula: C18H22N4O4

SMILES: COC1=CC=C(CNC2=NC(=NC=C2C(O)=O)N2CCCC2CO)C=C1

IUPAC: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-{[(4-methoxyphenyl)methyl]amino}pyrimidine-5-carboxylic acid

InChI: InChI=1/C18H22N4O4/c1-26-14-6-4-12(5-7-14)9-19-16-15(17(24)25)10-20-18(21-16)22-8-2-3-13(22)11-23/h4-7,10,13,23H,2-3,8-9,11H2,1H3,(H,24,25)(H,19,20,21)

Composition: C (60.32%), H (6.19%), N (15.63%), O (17.86%)

Molar Mass: 358.398

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	358.164105204
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	QOBLCWBBKFBHQF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.44
Topological Polar Surface Area	107.81
Polarizability	36.25
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H22N4O4		Quote Only