1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea

C26H32N8O2 — CID 71004541

About 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea

1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea (PubChem CID 71004541) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
• PubChem CID: 71004541
• Molecular Formula: C26H32N8O2
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.26
• IUPAC Name: 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
• SMILES: Cc1cnc(-c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)cn3)cc2)nc1N1CCOCC1
• InChI: InChI=1S/C26H32N8O2/c1-19-17-28-24(31-25(19)34-13-15-36-16-14-34)20-3-5-21(6-4-20)29-26(35)30-23-8-7-22(18-27-23)33-11-9-32(2)10-12-33/h3-8,17-18H,9-16H2,1-2H3,(H2,27,29,30,35)
• InChIKey: HWYSLGIDKIQXNN-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 98.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?

The IUPAC name of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea (CID 71004541) is 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea.

What is the SMILES notation for 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?

The canonical SMILES for 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea is Cc1cnc(-c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)cn3)cc2)nc1N1CCOCC1.

What is the InChIKey of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?

The InChIKey is HWYSLGIDKIQXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-19-17-28-24(31-25(19)34-13-15-36-16-14-34)20-3-5-21(6-4-20)29-26(35)30-23-8-7-22(18-27-23)33-11-9-32(2)10-12-33/h3-8,17-18H,9-16H2,1-2H3,(H2,27,29,30,35).

What are the key properties of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?

1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea has a molecular weight of 488.60 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 71004541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).