3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C17H23N3O — CID 115534345

IUPAC3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCOc1ccccc1-c1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C17H23N3O/c1-4-21-16-10-6-5-8-15(16)17-19-12(2)14(9-7-11-18)13(3)20-17/h5-6,8,10H,4,7,9,11,18H2,1-3H3
InChIKeyWBHJTUYWJDADNB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds6

About 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 115534345) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID115534345
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCOc1ccccc1-c1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C17H23N3O/c1-4-21-16-10-6-5-8-15(16)17-19-12(2)14(9-7-11-18)13(3)20-17/h5-6,8,10H,4,7,9,11,18H2,1-3H3
InChIKeyWBHJTUYWJDADNB-UHFFFAOYSA-N
XLogP3.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine 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-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013044
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
CID 28916529
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013043
3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 62744903
3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
CID 115534182
4-(2-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 115534558
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
6-(2-ethoxyphenyl)-2-methylpyridin-3-amine
CID 82467687
[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 39351015

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 115534345) is 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is CCOc1ccccc1-c1nc(C)c(CCCN)c(C)n1.
What is the InChIKey of 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is WBHJTUYWJDADNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-21-16-10-6-5-8-15(16)17-19-12(2)14(9-7-11-18)13(3)20-17/h5-6,8,10H,4,7,9,11,18H2,1-3H3.
What are the key properties of 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 115534345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).