2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine

C16H21N3 — CID 95464263

IUPAC2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
SMILESCCCc1ccc(-c2cc(C)nc(CCN)n2)cc1
InChIInChI=1S/C16H21N3/c1-3-4-13-5-7-14(8-6-13)15-11-12(2)18-16(19-15)9-10-17/h5-8,11H,3-4,9-10,17H2,1-2H3
InChIKeyAXFFDFFOBWVLCY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds5

About 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine

2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 95464263) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID95464263
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
SMILESCCCc1ccc(-c2cc(C)nc(CCN)n2)cc1
InChIInChI=1S/C16H21N3/c1-3-4-13-5-7-14(8-6-13)15-11-12(2)18-16(19-15)9-10-17/h5-8,11H,3-4,9-10,17H2,1-2H3
InChIKeyAXFFDFFOBWVLCY-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine 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-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 96669293
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 116892485
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 82299318
2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 82308235
2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine
CID 95456247
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881
3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
CID 116893049
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892641

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine (CID 95464263) is 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine is CCCc1ccc(-c2cc(C)nc(CCN)n2)cc1.
What is the InChIKey of 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is AXFFDFFOBWVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-4-13-5-7-14(8-6-13)15-11-12(2)18-16(19-15)9-10-17/h5-8,11H,3-4,9-10,17H2,1-2H3.
What are the key properties of 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 95464263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).