N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine

C15H19N3 — CID 62745336

IUPACN-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-3-9-16-11-14-10-12(2)17-15(18-14)13-7-5-4-6-8-13/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyNRGPJICIOGTOGV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.95
Rot. Bonds5

About N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine

N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 62745336) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID62745336
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-3-9-16-11-14-10-12(2)17-15(18-14)13-7-5-4-6-8-13/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyNRGPJICIOGTOGV-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]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

N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744634
N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 82740701
4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
CID 136889379
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
CID 28904875
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62746066
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022817
N-[[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 106819838
N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine
CID 46785106
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine (CID 62745336) is N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine is CCCNCc1cc(C)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is NRGPJICIOGTOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-9-16-11-14-10-12(2)17-15(18-14)13-7-5-4-6-8-13/h4-8,10,16H,3,9,11H2,1-2H3.
What are the key properties of N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62745336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).