[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine

C15H19N3 — CID 62746651

IUPAC[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
SMILESCCc1ccc(-c2nc(C)c(CN)c(C)n2)cc1
InChIInChI=1S/C15H19N3/c1-4-12-5-7-13(8-6-12)15-17-10(2)14(9-16)11(3)18-15/h5-8H,4,9,16H2,1-3H3
InChIKeyASGXIROFYYUUBW-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.78
Rot. Bonds3

About [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine

[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine (PubChem CID 62746651) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
PubChem CID62746651
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
SMILESCCc1ccc(-c2nc(C)c(CN)c(C)n2)cc1
InChIInChI=1S/C15H19N3/c1-4-12-5-7-13(8-6-12)15-17-10(2)14(9-16)11(3)18-15/h5-8H,4,9,16H2,1-3H3
InChIKeyASGXIROFYYUUBW-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine (CID 62746651) is [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine is CCc1ccc(-c2nc(C)c(CN)c(C)n2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The InChIKey is ASGXIROFYYUUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-12-5-7-13(8-6-12)15-17-10(2)14(9-16)11(3)18-15/h5-8H,4,9,16H2,1-3H3.
What are the key properties of [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 62746651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).