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

C25H31FN6O2 — CID 144890397

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

7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 144890397) has the molecular formula C25H31FN6O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 144890397
• Molecular Formula: C25H31FN6O2
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.25
• IUPAC Name: 7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: COc1cc(Nc2ncc3c(n2)N(C)C(C2CCC(C)(F)CC2)CO3)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H31FN6O2/c1-16-13-32(15-28-16)19-6-5-18(11-21(19)33-4)29-24-27-12-22-23(30-24)31(3)20(14-34-22)17-7-9-25(2,26)10-8-17/h5-6,11-13,15,17,20H,7-10,14H2,1-4H3,(H,27,29,30)
• InChIKey: WKTVIYQMDZNVJV-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 144890397) is 7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

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

The canonical SMILES for 7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(C)C(C2CCC(C)(F)CC2)CO3)ccc1-n1cnc(C)c1.

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

The InChIKey is WKTVIYQMDZNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2/c1-16-13-32(15-28-16)19-6-5-18(11-21(19)33-4)29-24-27-12-22-23(30-24)31(3)20(14-34-22)17-7-9-25(2,26)10-8-17/h5-6,11-13,15,17,20H,7-10,14H2,1-4H3,(H,27,29,30).

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

7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 466.56 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 144890397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).