[2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine

C11H17N3S — CID 107552334

IUPAC[2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(SCC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c12-7-10-5-6-13-11(14-10)15-8-9-3-1-2-4-9/h5-6,9H,1-4,7-8,12H2
InChIKeyQQODGQULQZIZKU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.22
Rot. Bonds4

About [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine

[2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine (PubChem CID 107552334) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine
PubChem CID107552334
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name[2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(SCC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c12-7-10-5-6-13-11(14-10)15-8-9-3-1-2-4-9/h5-6,9H,1-4,7-8,12H2
InChIKeyQQODGQULQZIZKU-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine 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 [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine (CID 107552334) is [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine is NCc1ccnc(SCC2CCCC2)n1.
What is the InChIKey of [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine?
The InChIKey is QQODGQULQZIZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-7-10-5-6-13-11(14-10)15-8-9-3-1-2-4-9/h5-6,9H,1-4,7-8,12H2.
What are the key properties of [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine?
[2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine has a molecular weight of 223.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethylsulfanyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107552334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).