[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine

C15H19N3O — CID 62746307

IUPAC[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
SMILESCCOc1cccc(-c2nc(C)c(CN)c(C)n2)c1
InChIInChI=1S/C15H19N3O/c1-4-19-13-7-5-6-12(8-13)15-17-10(2)14(9-16)11(3)18-15/h5-8H,4,9,16H2,1-3H3
InChIKeyICQVBUIHHHIKGQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.62
Rot. Bonds4

About [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine

[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine (PubChem CID 62746307) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
PubChem CID62746307
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
SMILESCCOc1cccc(-c2nc(C)c(CN)c(C)n2)c1
InChIInChI=1S/C15H19N3O/c1-4-19-13-7-5-6-12(8-13)15-17-10(2)14(9-16)11(3)18-15/h5-8H,4,9,16H2,1-3H3
InChIKeyICQVBUIHHHIKGQ-UHFFFAOYSA-N
XLogP2.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 62771715
4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 55247750
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
CID 82478568
2-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025887
1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745398
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482
4-chloro-2-(3-ethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292609
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine (CID 62746307) is [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine is CCOc1cccc(-c2nc(C)c(CN)c(C)n2)c1.
What is the InChIKey of [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The InChIKey is ICQVBUIHHHIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-19-13-7-5-6-12(8-13)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-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 62746307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).