5-methoxy-4-[(2-methoxyphenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine

5-methoxy-4-[(2-methoxyphenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine

CAS: 338771-65-6

Formula: C17H15N3O2S

SMILES: COC1=CN=C(N=C1SC1=C(OC)C=CC=C1)C1=NC=CC=C1

IUPAC: 5-methoxy-4-[(2-methoxyphenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine

InChI: InChI=1S/C17H15N3O2S/c1-21-13-8-3-4-9-15(13)23-17-14(22-2)11-19-16(20-17)12-7-5-6-10-18-12/h3-11H,1-2H3

Composition: C (62.75%), H (4.65%), N (12.91%), O (9.83%), S (9.85%)

Molar Mass: 325.39

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	325.088497909
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	RULBLZKSANQWSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.53
Topological Polar Surface Area	57.13
Polarizability	35.61
Ring Count	3
Rotatable Bond Count	5

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