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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Related Compounds

4-cyclopentyl-5-fluoropyrimidin-2-amine
CID 171659947
2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine
CID 66278717
4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine
CID 80890818
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80883686
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235242
4-cyclopentyloxy-5-fluoropyrimidin-2-amine
CID 80861467
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106748815
5-chloro-2-(cyclopentylmethylsulfanyl)-4-fluoroaniline
CID 66076568
[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine
CID 63119826
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012
5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine
CID 80885744

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).