2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine

C20H22N4O2 — CID 112904866

IUPAC2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(Nc3ccccc3OCC)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-3-25-16-11-9-15(10-12-16)22-19-13-14-21-20(24-19)23-17-7-5-6-8-18(17)26-4-2/h5-14H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyGFDZSZYNWVUOQF-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.76
Rot. Bonds8

About 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine

2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112904866) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112904866
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(Nc3ccccc3OCC)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-3-25-16-11-9-15(10-12-16)22-19-13-14-21-20(24-19)23-17-7-5-6-8-18(17)26-4-2/h5-14H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyGFDZSZYNWVUOQF-UHFFFAOYSA-N
XLogP4.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)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

2-N-(2-ethoxyphenyl)-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112902830
4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903465
4-[[2-(2-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193845
4-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904860
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904858
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112902522
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895416

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine (CID 112904866) is 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2ccnc(Nc3ccccc3OCC)n2)cc1.
What is the InChIKey of 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is GFDZSZYNWVUOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-25-16-11-9-15(10-12-16)22-19-13-14-21-20(24-19)23-17-7-5-6-8-18(17)26-4-2/h5-14H,3-4H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 350.42 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112904866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).