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

C24H22N6O — CID 118056309

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

8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118056309) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 118056309
• Molecular Formula: C24H22N6O
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.19
• IUPAC Name: 8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: Cc1cc(-c2ccc(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)cn2)ccn1
• InChI: InChI=1S/C24H22N6O/c1-16-5-3-4-6-21(16)30-11-12-31-22-15-27-24(29-23(22)30)28-19-7-8-20(26-14-19)18-9-10-25-17(2)13-18/h3-10,13-15H,11-12H2,1-2H3,(H,27,28,29)
• InChIKey: JMQDVSUTISSAHC-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118056309) is 8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

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

The canonical SMILES for 8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1cc(-c2ccc(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)cn2)ccn1.

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

The InChIKey is JMQDVSUTISSAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-16-5-3-4-6-21(16)30-11-12-31-22-15-27-24(29-23(22)30)28-19-7-8-20(26-14-19)18-9-10-25-17(2)13-18/h3-10,13-15H,11-12H2,1-2H3,(H,27,28,29).

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

8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 410.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118056309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).