N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine

C12H12FN3S — CID 80887336

IUPACN-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ccccc2)n1
InChIInChI=1S/C12H12FN3S/c1-2-14-12-15-8-10(13)11(16-12)17-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyFRVAEOWTMQINNH-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.20
Rot. Bonds4

About N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine (PubChem CID 80887336) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
PubChem CID80887336
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC NameN-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ccccc2)n1
InChIInChI=1S/C12H12FN3S/c1-2-14-12-15-8-10(13)11(16-12)17-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyFRVAEOWTMQINNH-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337
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
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
CID 80869962
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 80889743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine (CID 80887336) is N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2ccccc2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine?
The InChIKey is FRVAEOWTMQINNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-2-14-12-15-8-10(13)11(16-12)17-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).