2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine

C11H16FN3S — CID 66000771

IUPAC2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(CSC2CCCC2)nc(N)c1F
InChIInChI=1S/C11H16FN3S/c1-7-10(12)11(13)15-9(14-7)6-16-8-4-2-3-5-8/h8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyCVFDLPDKHKPFMN-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.68
Rot. Bonds3

About 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine

2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 66000771) has the molecular formula C11H16FN3S and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID66000771
Molecular FormulaC11H16FN3S
Molecular Weight241.33 g/mol
Exact Mass241.10
IUPAC Name2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(CSC2CCCC2)nc(N)c1F
InChIInChI=1S/C11H16FN3S/c1-7-10(12)11(13)15-9(14-7)6-16-8-4-2-3-5-8/h8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyCVFDLPDKHKPFMN-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 66000771) is 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(CSC2CCCC2)nc(N)c1F.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is CVFDLPDKHKPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3S/c1-7-10(12)11(13)15-9(14-7)6-16-8-4-2-3-5-8/h8H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 241.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66000771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).