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

C21H29N7O2 — CID 144890322

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

cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen (PubChem CID 144890322) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
• PubChem CID: 144890322
• Molecular Formula: C21H29N7O2
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.24
• IUPAC Name: cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
• SMILES: C1CCC1.COc1cc(Nc2ncc3c(n2)N(C)CCO3)cnc1-n1cnc(C)c1.[H][H]
• InChI: InChI=1S/C17H19N7O2.C4H8.H2/c1-11-9-24(10-20-11)15-13(25-3)6-12(7-18-15)21-17-19-8-14-16(22-17)23(2)4-5-26-14;1-2-4-3-1;/h6-10H,4-5H2,1-3H3,(H,19,21,22);1-4H2;1H
• InChIKey: OBRPQYWPSHRQNV-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 90.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen (CID 144890322) is cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen.

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

The canonical SMILES for cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen is C1CCC1.COc1cc(Nc2ncc3c(n2)N(C)CCO3)cnc1-n1cnc(C)c1.[H][H].

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

The InChIKey is OBRPQYWPSHRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2.C4H8.H2/c1-11-9-24(10-20-11)15-13(25-3)6-12(7-18-15)21-17-19-8-14-16(22-17)23(2)4-5-26-14;1-2-4-3-1;/h6-10H,4-5H2,1-3H3,(H,19,21,22);1-4H2;1H.

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

cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen has a molecular weight of 411.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen is sourced from PubChem (CID 144890322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).