6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine

C12H11ClFN3S — CID 135053683

IUPAC6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)c(C)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H11ClFN3S/c1-7-10(13)16-12(18-2)17-11(7)15-9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,16,17)
InChIKeyDYSJPQLFXMXKNX-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.04
Rot. Bonds3

About 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 135053683) has the molecular formula C12H11ClFN3S and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID135053683
Molecular FormulaC12H11ClFN3S
Molecular Weight283.76 g/mol
Exact Mass283.03
IUPAC Name6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)c(C)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H11ClFN3S/c1-7-10(13)16-12(18-2)17-11(7)15-9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,16,17)
InChIKeyDYSJPQLFXMXKNX-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine (CID 135053683) is 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)c(C)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is DYSJPQLFXMXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3S/c1-7-10(13)16-12(18-2)17-11(7)15-9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)-5-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 135053683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).