2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C₁₈H₂₅N₅O — CID 112887341

About 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887341) has the molecular formula C₁₈H₂₅N₅O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
• PubChem CID: 112887341
• Molecular Formula: C₁₈H₂₅N₅O
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.21
• IUPAC Name: 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
• SMILES: Cc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1C
• InChI: InChI=1S/C18H25N5O/c1-14-3-4-16(13-15(14)2)21-18-20-6-5-17(22-18)19-7-8-23-9-11-24-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22)
• InChIKey: WYZIMGQAXIPDIQ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 62.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887341) is 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1C.

What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

The InChIKey is WYZIMGQAXIPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-3-4-16(13-15(14)2)21-18-20-6-5-17(22-18)19-7-8-23-9-11-24-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22).

What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112887341 — identifiers, structure, computed properties (public domain)

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