4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine

C20H22N4O2 — CID 112902472

IUPAC4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2ccnc(Nc3ccc(C)cc3C)n2)c1
InChIInChI=1S/C20H22N4O2/c1-13-5-7-16(14(2)11-13)23-20-21-10-9-19(24-20)22-17-12-15(25-3)6-8-18(17)26-4/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyDKVUIDSSAXYNIZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.60
Rot. Bonds6

About 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine

4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 112902472) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID112902472
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2ccnc(Nc3ccc(C)cc3C)n2)c1
InChIInChI=1S/C20H22N4O2/c1-13-5-7-16(14(2)11-13)23-20-21-10-9-19(24-20)22-17-12-15(25-3)6-8-18(17)26-4/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyDKVUIDSSAXYNIZ-UHFFFAOYSA-N
XLogP4.60
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)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-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112903990
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112904018
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902465
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905095
2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine (CID 112902472) is 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine is COc1ccc(OC)c(Nc2ccnc(Nc3ccc(C)cc3C)n2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is DKVUIDSSAXYNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-5-7-16(14(2)11-13)23-20-21-10-9-19(24-20)22-17-12-15(25-3)6-8-18(17)26-4/h5-12H,1-4H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 350.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).