4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine

C22H27N7O — CID 91499361

About 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine

4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine (PubChem CID 91499361) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
• PubChem CID: 91499361
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
• SMILES: Cc1cc(Nc2cc(NCCN3CCOCC3)nc(C=Cc3ccccc3)n2)n[nH]1
• InChI: InChI=1S/C22H27N7O/c1-17-15-22(28-27-17)26-21-16-20(23-9-10-29-11-13-30-14-12-29)24-19(25-21)8-7-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H3,23,24,25,26,27,28)
• InChIKey: KVQCAWIWBFSNPA-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 90.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine?

The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine (CID 91499361) is 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine.

What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine?

The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine is Cc1cc(Nc2cc(NCCN3CCOCC3)nc(C=Cc3ccccc3)n2)n[nH]1.

What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine?

The InChIKey is KVQCAWIWBFSNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-17-15-22(28-27-17)26-21-16-20(23-9-10-29-11-13-30-14-12-29)24-19(25-21)8-7-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H3,23,24,25,26,27,28).

What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine?

4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine has a molecular weight of 405.51 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 91499361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).