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

C11H17N3S — CID 65140695

IUPAC[2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(CSC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c12-7-9-5-6-13-11(14-9)8-15-10-3-1-2-4-10/h5-6,10H,1-4,7-8,12H2
InChIKeyIGUOZLNAMDCBQZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.11
Rot. Bonds4

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

[2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine (PubChem CID 65140695) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine
PubChem CID65140695
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name[2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(CSC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c12-7-9-5-6-13-11(14-9)8-15-10-3-1-2-4-10/h5-6,10H,1-4,7-8,12H2
InChIKeyIGUOZLNAMDCBQZ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine (CID 65140695) is [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine is NCc1ccnc(CSC2CCCC2)n1.
What is the InChIKey of [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine?
The InChIKey is IGUOZLNAMDCBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-7-9-5-6-13-11(14-9)8-15-10-3-1-2-4-10/h5-6,10H,1-4,7-8,12H2.
What are the key properties of [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine?
[2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine has a molecular weight of 223.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 65140695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).