6-chloro-N-(3-methoxypropyl)-2-(methylsulfanyl)pyrimidin-4-amine

6-chloro-N-(3-methoxypropyl)-2-(methylsulfanyl)pyrimidin-4-amine

CAS: 951884-56-3

Formula: C9H14ClN3OS

SMILES: COCCCNC1=CC(Cl)=NC(SC)=N1

IUPAC: 6-chloro-N-(3-methoxypropyl)-2-(methylsulfanyl)pyrimidin-4-amine

InChI: InChI=1S/C9H14ClN3OS/c1-14-5-3-4-11-8-6-7(10)12-9(13-8)15-2/h6H,3-5H2,1-2H3,(H,11,12,13)

Composition: C (43.63%), H (5.70%), Cl (14.31%), N (16.96%), O (6.46%), S (12.94%)

Molar Mass: 247.74

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.054611
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DTFIIZKQYAPLBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.71
Topological Polar Surface Area	47.04
Polarizability	24.63
Ring Count	1
Rotatable Bond Count	6

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