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

C24H28N6O2 — CID 144890338

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

benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen (PubChem CID 144890338) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
• PubChem CID: 144890338
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
• SMILES: COc1cc(Nc2ncc3c(n2)N(C)CCO3)ccc1-n1cnc(C)c1.[H][H].c1ccccc1
• InChI: InChI=1S/C18H20N6O2.C6H6.H2/c1-12-10-24(11-20-12)14-5-4-13(8-15(14)25-3)21-18-19-9-16-17(22-18)23(2)6-7-26-16;1-2-4-6-5-3-1;/h4-5,8-11H,6-7H2,1-3H3,(H,19,21,22);1-6H;1H
• InChIKey: IVBRVTAOBCMVTK-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen (CID 144890338) is benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen.

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

The canonical SMILES for benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen is COc1cc(Nc2ncc3c(n2)N(C)CCO3)ccc1-n1cnc(C)c1.[H][H].c1ccccc1.

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

The InChIKey is IVBRVTAOBCMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2.C6H6.H2/c1-12-10-24(11-20-12)14-5-4-13(8-15(14)25-3)21-18-19-9-16-17(22-18)23(2)6-7-26-16;1-2-4-6-5-3-1;/h4-5,8-11H,6-7H2,1-3H3,(H,19,21,22);1-6H;1H.

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

benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen has a molecular weight of 432.53 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen is sourced from PubChem (CID 144890338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).