6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C21H24N4 — CID 112924413

IUPAC6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(NCCCc3ccccc3)n2)c1
InChIInChI=1S/C21H24N4/c1-16-8-6-12-19(14-16)24-20-15-17(2)23-21(25-20)22-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H2,22,23,24,25)
InChIKeyHRMBJAWYUNVHHY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.88
Rot. Bonds7

About 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112924413) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112924413
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(NCCCc3ccccc3)n2)c1
InChIInChI=1S/C21H24N4/c1-16-8-6-12-19(14-16)24-20-15-17(2)23-21(25-20)22-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H2,22,23,24,25)
InChIKeyHRMBJAWYUNVHHY-UHFFFAOYSA-N
XLogP4.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)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-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924421
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
methyl 3-[[6-methyl-2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112924455
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112913671
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924464
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952987
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112924413) is 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2cc(C)nc(NCCCc3ccccc3)n2)c1.
What is the InChIKey of 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is HRMBJAWYUNVHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-16-8-6-12-19(14-16)24-20-15-17(2)23-21(25-20)22-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).