2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine

C13H14FN3S — CID 14461174

IUPAC2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine
SMILESCCSc1nc(F)c(C)c(Nc2ccccc2)n1
InChIInChI=1S/C13H14FN3S/c1-3-18-13-16-11(14)9(2)12(17-13)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyAULJXAMSIQVCJT-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.78
Rot. Bonds4

About 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine

2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine (PubChem CID 14461174) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine
PubChem CID14461174
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine
SMILESCCSc1nc(F)c(C)c(Nc2ccccc2)n1
InChIInChI=1S/C13H14FN3S/c1-3-18-13-16-11(14)9(2)12(17-13)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyAULJXAMSIQVCJT-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-6-fluoro-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 14461175
5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
CID 14461172
6-fluoro-5-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 14461155
5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 118870853
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine
CID 155805691
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80976188
2-(4-anilino-6-methylpyrimidin-2-yl)sulfanylacetic acid
CID 82017684
N-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
CID 5142315
4-ethyl-6-hydrazinyl-5-methyl-N-phenylpyrimidin-2-amine
CID 94672741
N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
CID 86199310
2-(4-anilinoquinazolin-2-yl)sulfanylacetamide
CID 7404920

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine (CID 14461174) is 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine is CCSc1nc(F)c(C)c(Nc2ccccc2)n1.
What is the InChIKey of 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is AULJXAMSIQVCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-3-18-13-16-11(14)9(2)12(17-13)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine?
2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.78, 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-phenylpyrimidin-4-amine is sourced from PubChem (CID 14461174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).