4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

C21H24N4 — CID 112916816

IUPAC4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(C)c2C)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-14-9-8-12-19(16(14)3)24-20-13-15(2)22-21(25-20)23-17(4)18-10-6-5-7-11-18/h5-13,17H,1-4H3,(H2,22,23,24,25)
InChIKeyMCIFESCSMHBSSO-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.32
Rot. Bonds5

About 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112916816) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112916816
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(C)c2C)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-14-9-8-12-19(16(14)3)24-20-13-15(2)22-21(25-20)23-17(4)18-10-6-5-7-11-18/h5-13,17H,1-4H3,(H2,22,23,24,25)
InChIKeyMCIFESCSMHBSSO-UHFFFAOYSA-N
XLogP5.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine 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

4-N-(2,5-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916812
4-N-(2-ethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916817
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907159
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916813
4-N-(4-bromophenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916834
2-N-(3-bromophenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928496
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112916763
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 112916816) is 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2cccc(C)c2C)nc(NC(C)c2ccccc2)n1.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is MCIFESCSMHBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-14-9-8-12-19(16(14)3)24-20-13-15(2)22-21(25-20)23-17(4)18-10-6-5-7-11-18/h5-13,17H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112916816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).