6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine

C13H12ClF2N3S — CID 63734218

IUPAC6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C13H12ClF2N3S/c1-7-11(14)17-8(2)18-12(7)19-9-5-3-4-6-10(9)20-13(15)16/h3-6,13H,1-2H3,(H,17,18,19)
InChIKeyINQQKSVAVCHKOI-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.81
Rot. Bonds4

About 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine

6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine (PubChem CID 63734218) has the molecular formula C13H12ClF2N3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine
PubChem CID63734218
Molecular FormulaC13H12ClF2N3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C13H12ClF2N3S/c1-7-11(14)17-8(2)18-12(7)19-9-5-3-4-6-10(9)20-13(15)16/h3-6,13H,1-2H3,(H,17,18,19)
InChIKeyINQQKSVAVCHKOI-UHFFFAOYSA-N
XLogP4.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-((Difluoromethyl)thio)phenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine
CID 16238272
5-chloro-4-N,2-dimethyl-4-N-(4-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 129286722
6-methyl-N~4~-[2-(methylthio)phenyl]-2,4-pyrimidinediamine
CID 56919796
6-Chloro-2-(methylsulfanyl)-N-phenylpyrimidin-4-amine
CID 14622190
6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine
CID 135053683
1-[4-(Difluoromethylsulfanyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 1992051
4-Chloro-6-(3-fluoroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 3310838
4-Chloro-6-(2-fluoroanilino)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 4533081
6-chloro-2-methylsulfanyl-N-phenyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 14622199
6-chloro-N-(2,6-difluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544729
6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545284
(6-Chloro-5-methyl-pyrimidin-4-yl)-(2-fluoro-4-methanesulfonyl-phenyl)-amine
CID 86597362

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine (CID 63734218) is 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(Nc2ccccc2SC(F)F)n1.
What is the InChIKey of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is INQQKSVAVCHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3S/c1-7-11(14)17-8(2)18-12(7)19-9-5-3-4-6-10(9)20-13(15)16/h3-6,13H,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 315.78 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63734218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).