4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

CAS: 211245-64-6

Formula: C11H15N3OS

SMILES: CSC1=NC(NC2CCCC2)=C(C=O)C=N1

IUPAC: 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

InChI: InChI=1S/C11H15N3OS/c1-16-11-12-6-8(7-15)10(14-11)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,13,14)

Composition: C (55.67%), H (6.37%), N (17.71%), O (6.74%), S (13.51%)

Molar Mass: 237.32

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.093583289
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QKRVSWPBAOCWHY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.93
Topological Polar Surface Area	54.88
Polarizability	24.98
Ring Count	2
Rotatable Bond Count	4

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