6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine

C13H14FN3S — CID 14461169

IUPAC6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine
SMILESCSc1nc(F)c(C)c(N(C)c2ccccc2)n1
InChIInChI=1S/C13H14FN3S/c1-9-11(14)15-13(18-3)16-12(9)17(2)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyAMTJNBBDNJTQOL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.41
Rot. Bonds3

About 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine

6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine (PubChem CID 14461169) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine
PubChem CID14461169
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine
SMILESCSc1nc(F)c(C)c(N(C)c2ccccc2)n1
InChIInChI=1S/C13H14FN3S/c1-9-11(14)15-13(18-3)16-12(9)17(2)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyAMTJNBBDNJTQOL-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine (CID 14461169) is 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine is CSc1nc(F)c(C)c(N(C)c2ccccc2)n1.
What is the InChIKey of 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The InChIKey is AMTJNBBDNJTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-9-11(14)15-13(18-3)16-12(9)17(2)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,5-dimethyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 14461169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).