6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine

C15H19N3S — CID 106849539

IUPAC6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(N)c(C)c(CC)n2)cc1
InChIInChI=1S/C15H19N3S/c1-4-13-10(3)14(16)18-15(17-13)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyHUTGUIQVMPOCCK-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.71
Rot. Bonds4

About 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine

6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 106849539) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine
PubChem CID106849539
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(N)c(C)c(CC)n2)cc1
InChIInChI=1S/C15H19N3S/c1-4-13-10(3)14(16)18-15(17-13)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyHUTGUIQVMPOCCK-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine (CID 106849539) is 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine is CCSc1ccc(-c2nc(N)c(C)c(CC)n2)cc1.
What is the InChIKey of 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is HUTGUIQVMPOCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-13-10(3)14(16)18-15(17-13)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine?
6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 273.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106849539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).