2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine

C21H24N4O2 — CID 112928681

IUPAC2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3OC)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-5-15-6-8-16(9-7-15)23-20-12-14(2)22-21(25-20)24-18-11-10-17(26-3)13-19(18)27-4/h6-13H,5H2,1-4H3,(H2,22,23,24,25)
InChIKeyZMXXHIPXGCZZJO-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.85
Rot. Bonds7

About 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine

2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112928681) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112928681
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3OC)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-5-15-6-8-16(9-7-15)23-20-12-14(2)22-21(25-20)24-18-11-10-17(26-3)13-19(18)27-4/h6-13H,5H2,1-4H3,(H2,22,23,24,25)
InChIKeyZMXXHIPXGCZZJO-UHFFFAOYSA-N
XLogP4.85
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-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

2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930871
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930724
4-N-(4-ethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928709
N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931208
2-N-(2,4-dimethoxyphenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928481
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907821
2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928025
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112928987
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922586
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112928681) is 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine is CCc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3OC)n2)cc1.
What is the InChIKey of 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZMXXHIPXGCZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-15-6-8-16(9-7-15)23-20-12-14(2)22-21(25-20)24-18-11-10-17(26-3)13-19(18)27-4/h6-13H,5H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).