2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C23H28N4O — CID 112921408

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

2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112921408) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 112921408
• Molecular Formula: C23H28N4O
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.23
• IUPAC Name: 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
• SMILES: COc1ccc(CCNc2nc(C)cc(Nc3ccccc3C(C)C)n2)cc1
• InChI: InChI=1S/C23H28N4O/c1-16(2)20-7-5-6-8-21(20)26-22-15-17(3)25-23(27-22)24-14-13-18-9-11-19(28-4)12-10-18/h5-12,15-16H,13-14H2,1-4H3,(H2,24,25,26,27)
• InChIKey: OQBGGIDFGKLLJF-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 59.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112921408) is 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is COc1ccc(CCNc2nc(C)cc(Nc3ccccc3C(C)C)n2)cc1.

What is the InChIKey of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?

The InChIKey is OQBGGIDFGKLLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16(2)20-7-5-6-8-21(20)26-22-15-17(3)25-23(27-22)24-14-13-18-9-11-19(28-4)12-10-18/h5-12,15-16H,13-14H2,1-4H3,(H2,24,25,26,27).

What are the key properties of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?

2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 376.50 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112921408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).