6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine

C12H11F2N3S — CID 80884884

IUPAC6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1cc(F)ccc1F
InChIInChI=1S/C12H11F2N3S/c1-2-8-11(15)16-6-17-12(8)18-10-5-7(13)3-4-9(10)14/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyRBKJRMASVWUOLR-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.05
Rot. Bonds3

About 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine

6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine (PubChem CID 80884884) has the molecular formula C12H11F2N3S and a molecular weight of 267.30 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine
PubChem CID80884884
Molecular FormulaC12H11F2N3S
Molecular Weight267.30 g/mol
Exact Mass267.06
IUPAC Name6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1cc(F)ccc1F
InChIInChI=1S/C12H11F2N3S/c1-2-8-11(15)16-6-17-12(8)18-10-5-7(13)3-4-9(10)14/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyRBKJRMASVWUOLR-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884389
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
CID 80883053
5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886646
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885324
5-ethyl-6-ethylsulfanylpyrimidin-4-amine
CID 80887544
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
3-(2,5-difluorophenyl)sulfanyl-5,6-diethylpyridazine-4-carbonitrile
CID 80512698
4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
CID 63732482
6-benzylsulfanyl-5-ethylpyrimidin-4-amine
CID 80884151
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80889243
5-(2,5-difluorophenyl)sulfanyl-3-ethyl-1-methylpyrazol-4-amine
CID 66015291

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine (CID 80884884) is 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1Sc1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine?
The InChIKey is RBKJRMASVWUOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3S/c1-2-8-11(15)16-6-17-12(8)18-10-5-7(13)3-4-9(10)14/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine?
6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine has a molecular weight of 267.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 80884884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).