4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

C11H16FN3S — CID 80889927

IUPAC4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(SC2CCCC2)n1
InChIInChI=1S/C11H16FN3S/c1-2-13-11-14-7-9(12)10(15-11)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyHDLHSSGPGWBYRG-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.08
Rot. Bonds4

About 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80889927) has the molecular formula C11H16FN3S and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80889927
Molecular FormulaC11H16FN3S
Molecular Weight241.33 g/mol
Exact Mass241.10
IUPAC Name4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(SC2CCCC2)n1
InChIInChI=1S/C11H16FN3S/c1-2-13-11-14-7-9(12)10(15-11)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyHDLHSSGPGWBYRG-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334576
2-N-ethyl-5-fluoro-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777660
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 115479565
4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine
CID 112750630

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (CID 80889927) is 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(SC2CCCC2)n1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is HDLHSSGPGWBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3S/c1-2-13-11-14-7-9(12)10(15-11)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80889927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).