2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C23H28N4O2 — CID 112922803

IUPAC2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3ccccc3C(C)C)n2)cc1OC
InChIInChI=1S/C23H28N4O2/c1-15(2)18-8-6-7-9-19(18)26-22-12-16(3)25-23(27-22)24-14-17-10-11-20(28-4)21(13-17)29-5/h6-13,15H,14H2,1-5H3,(H2,24,25,26,27)
InChIKeyOBCSBHBBJWIBTP-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.28
Rot. Bonds8

About 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112922803) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112922803
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3ccccc3C(C)C)n2)cc1OC
InChIInChI=1S/C23H28N4O2/c1-15(2)18-8-6-7-9-19(18)26-22-12-16(3)25-23(27-22)24-14-17-10-11-20(28-4)21(13-17)29-5/h6-13,15H,14H2,1-5H3,(H2,24,25,26,27)
InChIKeyOBCSBHBBJWIBTP-UHFFFAOYSA-N
XLogP5.28
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)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-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112921408
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907124
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922793
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
2-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112918817
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112922789
4-N-(5-chloro-2-methylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922812
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922746
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112928987
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922819
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112922803) is 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is COc1ccc(CNc2nc(C)cc(Nc3ccccc3C(C)C)n2)cc1OC.
What is the InChIKey of 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OBCSBHBBJWIBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15(2)18-8-6-7-9-19(18)26-22-12-16(3)25-23(27-22)24-14-17-10-11-20(28-4)21(13-17)29-5/h6-13,15H,14H2,1-5H3,(H2,24,25,26,27).
What are the key properties of 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 392.50 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112922803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).