4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine

C10H14FN3S — CID 80889692

IUPAC4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(SCC2CCCC2)n1
InChIInChI=1S/C10H14FN3S/c11-8-5-13-10(12)14-9(8)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,12,13,14)
InChIKeyDXUVDVJQLBZNIM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.48
Rot. Bonds3

About 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine

4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine (PubChem CID 80889692) has the molecular formula C10H14FN3S and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine
PubChem CID80889692
Molecular FormulaC10H14FN3S
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Name4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(SCC2CCCC2)n1
InChIInChI=1S/C10H14FN3S/c11-8-5-13-10(12)14-9(8)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,12,13,14)
InChIKeyDXUVDVJQLBZNIM-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine (CID 80889692) is 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(SCC2CCCC2)n1.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine?
The InChIKey is DXUVDVJQLBZNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3S/c11-8-5-13-10(12)14-9(8)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,12,13,14).
What are the key properties of 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine?
4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80889692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).