6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine

C15H17ClN4S — CID 19610677

IUPAC6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine
SMILESNc1cc(Cl)nc(SCc2cccnc2C2CCCC2)n1
InChIInChI=1S/C15H17ClN4S/c16-12-8-13(17)20-15(19-12)21-9-11-6-3-7-18-14(11)10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,17,19,20)
InChIKeyQYZLRJZJSARXAZ-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.06
Rot. Bonds4

About 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine

6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 19610677) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID19610677
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine
SMILESNc1cc(Cl)nc(SCc2cccnc2C2CCCC2)n1
InChIInChI=1S/C15H17ClN4S/c16-12-8-13(17)20-15(19-12)21-9-11-6-3-7-18-14(11)10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,17,19,20)
InChIKeyQYZLRJZJSARXAZ-UHFFFAOYSA-N
XLogP4.06
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine (CID 19610677) is 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine is Nc1cc(Cl)nc(SCc2cccnc2C2CCCC2)n1.
What is the InChIKey of 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is QYZLRJZJSARXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c16-12-8-13(17)20-15(19-12)21-9-11-6-3-7-18-14(11)10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,17,19,20).
What are the key properties of 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 320.85 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 19610677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).