1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

C15H19N3 — CID 54893614

IUPAC1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccnc(C)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-11-4-5-14(12(2)8-11)9-16-10-15-6-7-17-13(3)18-15/h4-8,16H,9-10H2,1-3H3
InChIKeyBOAKVXASQUUSDX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.69
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (PubChem CID 54893614) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
PubChem CID54893614
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccnc(C)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-11-4-5-14(12(2)8-11)9-16-10-15-6-7-17-13(3)18-15/h4-8,16H,9-10H2,1-3H3
InChIKeyBOAKVXASQUUSDX-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]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

1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 106816664
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide
CID 102664162
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
4-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzenecarbothioamide
CID 62302615
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370
3-chloro-N'-hydroxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzenecarboximidamide
CID 102667163
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (CID 54893614) is 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is Cc1ccc(CNCc2ccnc(C)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The InChIKey is BOAKVXASQUUSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-4-5-14(12(2)8-11)9-16-10-15-6-7-17-13(3)18-15/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is sourced from PubChem (CID 54893614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).