2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine

C13H16N4 — CID 114250637

IUPAC2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCc1cc(Nc2nccc(N)n2)ccc1C
InChIInChI=1S/C13H16N4/c1-3-10-8-11(5-4-9(10)2)16-13-15-7-6-12(14)17-13/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyRLOZTDUCGMVGDQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.67
Rot. Bonds3

About 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine

2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 114250637) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID114250637
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCc1cc(Nc2nccc(N)n2)ccc1C
InChIInChI=1S/C13H16N4/c1-3-10-8-11(5-4-9(10)2)16-13-15-7-6-12(14)17-13/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyRLOZTDUCGMVGDQ-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(3-ethyl-4-methylphenyl)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-ethyl-4-methylphenyl)pyridine-3,4-diamine
CID 114250635
2-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 91394496
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
CID 71531843
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
2-N-[4-bromo-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 116796985
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidine-2,4-diamine
CID 116796215
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
methyl 3-(3-ethyl-4-methylanilino)-1,2,4-thiadiazole-5-carboxylate
CID 91140253
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid
CID 114250389
1-ethyl-3-(3-ethyl-4-methylanilino)pyrazin-2-one
CID 133440153

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine (CID 114250637) is 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine is CCc1cc(Nc2nccc(N)n2)ccc1C.
What is the InChIKey of 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is RLOZTDUCGMVGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-10-8-11(5-4-9(10)2)16-13-15-7-6-12(14)17-13/h4-8H,3H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine?
2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114250637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).