2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

C14H16FN3S — CID 106849543

IUPAC2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(C)c(F)c(NC)n2)cc1
InChIInChI=1S/C14H16FN3S/c1-4-19-11-7-5-10(6-8-11)13-17-9(2)12(15)14(16-3)18-13/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyREVFCNSXCCSPSN-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (PubChem CID 106849543) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
PubChem CID106849543
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(C)c(F)c(NC)n2)cc1
InChIInChI=1S/C14H16FN3S/c1-4-19-11-7-5-10(6-8-11)13-17-9(2)12(15)14(16-3)18-13/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyREVFCNSXCCSPSN-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (CID 106849543) is 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is CCSc1ccc(-c2nc(C)c(F)c(NC)n2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The InChIKey is REVFCNSXCCSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-4-19-11-7-5-10(6-8-11)13-17-9(2)12(15)14(16-3)18-13/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 106849543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).