2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

C14H23N3S — CID 65140741

IUPAC2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(CSC2CCCC2)nc(NC)c1C
InChIInChI=1S/C14H23N3S/c1-4-12-10(2)14(15-3)17-13(16-12)9-18-11-7-5-6-8-11/h11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyYHFFTMKFQJEJRZ-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.56
Rot. Bonds5

About 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 65140741) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID65140741
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(CSC2CCCC2)nc(NC)c1C
InChIInChI=1S/C14H23N3S/c1-4-12-10(2)14(15-3)17-13(16-12)9-18-11-7-5-6-8-11/h11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyYHFFTMKFQJEJRZ-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (CID 65140741) is 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(CSC2CCCC2)nc(NC)c1C.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is YHFFTMKFQJEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-12-10(2)14(15-3)17-13(16-12)9-18-11-7-5-6-8-11/h11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65140741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).