5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine

C13H14FN3S — CID 14461172

IUPAC5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
SMILESCCc1c(F)nc(SC)nc1Nc1ccccc1
InChIInChI=1S/C13H14FN3S/c1-3-10-11(14)16-13(18-2)17-12(10)15-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyIRGAYMFWKBBSCP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.64
Rot. Bonds4

About 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine

5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine (PubChem CID 14461172) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
PubChem CID14461172
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
SMILESCCc1c(F)nc(SC)nc1Nc1ccccc1
InChIInChI=1S/C13H14FN3S/c1-3-10-11(14)16-13(18-2)17-12(10)15-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyIRGAYMFWKBBSCP-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine (CID 14461172) is 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine is CCc1c(F)nc(SC)nc1Nc1ccccc1.
What is the InChIKey of 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The InChIKey is IRGAYMFWKBBSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-3-10-11(14)16-13(18-2)17-12(10)15-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 14461172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).