N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C26H28N6O3 — CID 118238059

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118238059) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 118238059
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: COc1ccc(C2COc3cnc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)nc3N2C)c(C)c1
• InChI: InChI=1S/C26H28N6O3/c1-16-10-19(33-4)7-8-20(16)22-14-35-24-12-27-26(30-25(24)31(22)3)29-18-6-9-21(23(11-18)34-5)32-13-17(2)28-15-32/h6-13,15,22H,14H2,1-5H3,(H,27,29,30)
• InChIKey: DVOSWUWLTJPVHH-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 86.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118238059) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1ccc(C2COc3cnc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)nc3N2C)c(C)c1.

What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The InChIKey is DVOSWUWLTJPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-16-10-19(33-4)7-8-20(16)22-14-35-24-12-27-26(30-25(24)31(22)3)29-18-6-9-21(23(11-18)34-5)32-13-17(2)28-15-32/h6-13,15,22H,14H2,1-5H3,(H,27,29,30).

What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118238059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).