1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

C26H31N7O3 — CID 67177064

About 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea (PubChem CID 67177064) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
• PubChem CID: 67177064
• Molecular Formula: C26H31N7O3
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.25
• IUPAC Name: 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
• SMILES: CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ccc(C)c(=O)[nH]2)C3)cc1
• InChI: InChI=1S/C26H31N7O3/c1-3-27-26(35)28-19-7-5-18(6-8-19)23-29-21-16-33(22-9-4-17(2)25(34)30-22)11-10-20(21)24(31-23)32-12-14-36-15-13-32/h4-9H,3,10-16H2,1-2H3,(H,30,34)(H2,27,28,35)
• InChIKey: JIBDKEXIWOXAHL-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 115.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?

The IUPAC name of 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea (CID 67177064) is 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea.

What is the SMILES notation for 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?

The canonical SMILES for 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ccc(C)c(=O)[nH]2)C3)cc1.

What is the InChIKey of 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?

The InChIKey is JIBDKEXIWOXAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-3-27-26(35)28-19-7-5-18(6-8-19)23-29-21-16-33(22-9-4-17(2)25(34)30-22)11-10-20(21)24(31-23)32-12-14-36-15-13-32/h4-9H,3,10-16H2,1-2H3,(H,30,34)(H2,27,28,35).

What are the key properties of 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?

1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea has a molecular weight of 489.58 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea is sourced from PubChem (CID 67177064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).