6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine

C12H10ClF2N3S — CID 62481907

IUPAC6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C12H10ClF2N3S/c1-7-16-10(13)6-11(17-7)18-8-4-2-3-5-9(8)19-12(14)15/h2-6,12H,1H3,(H,16,17,18)
InChIKeyDSJIMQLAARPYSJ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.50
Rot. Bonds4

About 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine

6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine (PubChem CID 62481907) has the molecular formula C12H10ClF2N3S and a molecular weight of 301.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine
PubChem CID62481907
Molecular FormulaC12H10ClF2N3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC Name6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C12H10ClF2N3S/c1-7-16-10(13)6-11(17-7)18-8-4-2-3-5-9(8)19-12(14)15/h2-6,12H,1H3,(H,16,17,18)
InChIKeyDSJIMQLAARPYSJ-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine (CID 62481907) is 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(Nc2ccccc2SC(F)F)n1.
What is the InChIKey of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine?
The InChIKey is DSJIMQLAARPYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3S/c1-7-16-10(13)6-11(17-7)18-8-4-2-3-5-9(8)19-12(14)15/h2-6,12H,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-methylpyrimidin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.50, 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-methylpyrimidin-4-amine is sourced from PubChem (CID 62481907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).