N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine

C11H11FN4S — CID 80890860

IUPACN-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ccncc2)n1
InChIInChI=1S/C11H11FN4S/c1-2-14-11-15-7-9(12)10(16-11)17-8-3-5-13-6-4-8/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyLDHJEHFHRJJIAY-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.59
Rot. Bonds4

About N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine (PubChem CID 80890860) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
PubChem CID80890860
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC NameN-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ccncc2)n1
InChIInChI=1S/C11H11FN4S/c1-2-14-11-15-7-9(12)10(16-11)17-8-3-5-13-6-4-8/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyLDHJEHFHRJJIAY-UHFFFAOYSA-N
XLogP2.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337
N-ethyl-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80891030
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 115479565
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780843
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889363

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine (CID 80890860) is N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2ccncc2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine?
The InChIKey is LDHJEHFHRJJIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c1-2-14-11-15-7-9(12)10(16-11)17-8-3-5-13-6-4-8/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80890860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).