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

C24H24ClN7O3 — CID 118246285

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

7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118246285) has the molecular formula C24H24ClN7O3 and a molecular weight of 493.96 g/mol. Its IUPAC name is 7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 118246285
• Molecular Formula: C24H24ClN7O3
• Molecular Weight: 493.96 g/mol
• Exact Mass: 493.16
• IUPAC Name: 7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: COc1ccc(Cl)c(C2COc3cnc(Nc4cnc(-n5cnc(C)c5)c(OC)c4)nc3N2C)c1
• InChI: InChI=1S/C24H24ClN7O3/c1-14-11-32(13-28-14)22-20(34-4)7-15(9-26-22)29-24-27-10-21-23(30-24)31(2)19(12-35-21)17-8-16(33-3)5-6-18(17)25/h5-11,13,19H,12H2,1-4H3,(H,27,29,30)
• InChIKey: NYLFVPPVAAAVRN-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 99.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.96
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118246285) is 7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

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

The canonical SMILES for 7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1ccc(Cl)c(C2COc3cnc(Nc4cnc(-n5cnc(C)c5)c(OC)c4)nc3N2C)c1.

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

The InChIKey is NYLFVPPVAAAVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O3/c1-14-11-32(13-28-14)22-20(34-4)7-15(9-26-22)29-24-27-10-21-23(30-24)31(2)19(12-35-21)17-8-16(33-3)5-6-18(17)25/h5-11,13,19H,12H2,1-4H3,(H,27,29,30).

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

7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 493.96 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118246285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).