4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine

C11H17N3S — CID 80889943

IUPAC4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(SCC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c1-12-11-13-7-6-10(14-11)15-8-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyLERZFIYRIMVFFH-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.80
Rot. Bonds4

About 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine

4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine (PubChem CID 80889943) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine
PubChem CID80889943
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(SCC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c1-12-11-13-7-6-10(14-11)15-8-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyLERZFIYRIMVFFH-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine (CID 80889943) is 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine is CNc1nccc(SCC2CCCC2)n1.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine?
The InChIKey is LERZFIYRIMVFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-12-11-13-7-6-10(14-11)15-8-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,13,14).
What are the key properties of 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine?
4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine has a molecular weight of 223.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfanyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80889943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).