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

C11H17N3S — CID 65140334

IUPAC2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(CSC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c1-12-10-6-7-13-11(14-10)8-15-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyWMFXUKGHOQIYOO-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.69
Rot. Bonds4

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

2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 65140334) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine
PubChem CID65140334
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(CSC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c1-12-10-6-7-13-11(14-10)8-15-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyWMFXUKGHOQIYOO-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine (CID 65140334) is 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine is CNc1ccnc(CSC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is WMFXUKGHOQIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-12-10-6-7-13-11(14-10)8-15-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,13,14).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine?
2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 223.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 65140334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).