1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane

C46H61N13O6 — CID 157382790

About 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane

1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane (PubChem CID 157382790) has the molecular formula C46H61N13O6 and a molecular weight of 892.08 g/mol. Its IUPAC name is 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane.

Molecular Properties

• Compound Name: 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane
• PubChem CID: 157382790
• Molecular Formula: C46H61N13O6
• Molecular Weight: 892.08 g/mol
• Exact Mass: 891.49
• IUPAC Name: 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane
• SMILES: C.C.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2cnco2)C3)cc1.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1
• InChI: InChI=1S/C24H27N7O4.C20H26N6O2.2CH4/c1-2-26-24(33)27-17-5-3-16(4-6-17)21-28-19-14-31(23(32)20-13-25-15-35-20)8-7-18(19)22(29-21)30-9-11-34-12-10-30;1-2-22-20(27)23-15-5-3-14(4-6-15)18-24-17-13-21-8-7-16(17)19(25-18)26-9-11-28-12-10-26;;/h3-6,13,15H,2,7-12,14H2,1H3,(H2,26,27,33);3-6,21H,2,7-13H2,1H3,(H2,22,23,27);2*1H4
• InChIKey: BLBUNKDUGVPGLH-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 217.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	892.08
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane?

The IUPAC name of 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane (CID 157382790) is 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane.

What is the SMILES notation for 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane?

The canonical SMILES for 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane is C.C.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2cnco2)C3)cc1.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1.

What is the InChIKey of 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane?

The InChIKey is BLBUNKDUGVPGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4.C20H26N6O2.2CH4/c1-2-26-24(33)27-17-5-3-16(4-6-17)21-28-19-14-31(23(32)20-13-25-15-35-20)8-7-18(19)22(29-21)30-9-11-34-12-10-30;1-2-22-20(27)23-15-5-3-14(4-6-15)18-24-17-13-21-8-7-16(17)19(25-18)26-9-11-28-12-10-26;;/h3-6,13,15H,2,7-12,14H2,1H3,(H2,26,27,33);3-6,21H,2,7-13H2,1H3,(H2,22,23,27);2*1H4.

What are the key properties of 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane?

1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane has a molecular weight of 892.08 g/mol, XLogP of 5.35, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane is sourced from PubChem (CID 157382790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).