2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine

C14H16FN3S — CID 14461175

IUPAC2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCCSc1nc(F)c(C)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H16FN3S/c1-4-19-14-17-12(15)10(3)13(18-14)16-11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySGKPHVADUGQLSW-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.09
Rot. Bonds4

About 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine

2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 14461175) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID14461175
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCCSc1nc(F)c(C)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H16FN3S/c1-4-19-14-17-12(15)10(3)13(18-14)16-11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySGKPHVADUGQLSW-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine (CID 14461175) is 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine is CCSc1nc(F)c(C)c(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is SGKPHVADUGQLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-4-19-14-17-12(15)10(3)13(18-14)16-11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 14461175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).