6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine

C12H11F2N3S — CID 80893816

IUPAC6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C12H11F2N3S/c1-7-16-11(15-2)6-12(17-7)18-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyDBQKJYRCYDUVQH-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.26
Rot. Bonds3

About 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine

6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine (PubChem CID 80893816) has the molecular formula C12H11F2N3S and a molecular weight of 267.30 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
PubChem CID80893816
Molecular FormulaC12H11F2N3S
Molecular Weight267.30 g/mol
Exact Mass267.06
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C12H11F2N3S/c1-7-16-11(15-2)6-12(17-7)18-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyDBQKJYRCYDUVQH-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Benzylsulfanyl)pyrimidine-2,4-diamine
CID 235894
6-[(4-Methylphenyl)sulfanyl]pyrimidine-2,4-Diamine
CID 11096469
N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483266
4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine
CID 1484267
4-(4-Methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-2-amine
CID 44568847
N~4~-Benzyl-6-(methylsulfanyl)pyrimidine-2,4-diamine
CID 243955
6-Phenylsulfanyl-2-sec-butoxy-pyrimidin-4-amine
CID 478107
4-Pyrimidinamine, 2-chloro-6-(phenylsulfonyl)-
CID 478114
4-Pyrimidinamine, 2-(butylthio)-6-(phenylthio)-
CID 478117
6-(4-fluorophenyl)sulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 172433332
6-Benzylsulfanyl-5-fluoro-2-methyl-pyrimidin-4-ylamine
CID 563607
4,6-Bis(phenylsulfanyl)-2-pyrimidinamine
CID 1484541

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine (CID 80893816) is 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine is CNc1cc(Sc2ccc(F)cc2F)nc(C)n1.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
The InChIKey is DBQKJYRCYDUVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3S/c1-7-16-11(15-2)6-12(17-7)18-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine has a molecular weight of 267.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80893816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).