6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol

C27H32N6O3 — CID 143005182

About 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol

6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol (PubChem CID 143005182) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol.

Molecular Properties

• Compound Name: 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol
• PubChem CID: 143005182
• Molecular Formula: C27H32N6O3
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.25
• IUPAC Name: 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol
• SMILES: CC.CO.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NCCO5)cc34)cc2C)cn1
• InChI: InChI=1S/C24H22N6O2.C2H6.CH4O/c1-15-11-17(5-8-22(15)32-19-6-3-16(2)26-13-19)29-23-20-12-18(30-24-25-9-10-31-24)4-7-21(20)27-14-28-23;2*1-2/h3-8,11-14H,9-10H2,1-2H3,(H,25,30)(H,27,28,29);1-2H3;2H,1H3
• InChIKey: ASBLCJVQARZPMF-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 113.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol?

The IUPAC name of 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol (CID 143005182) is 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol.

What is the SMILES notation for 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol?

The canonical SMILES for 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol is CC.CO.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NCCO5)cc34)cc2C)cn1.

What is the InChIKey of 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol?

The InChIKey is ASBLCJVQARZPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.C2H6.CH4O/c1-15-11-17(5-8-22(15)32-19-6-3-16(2)26-13-19)29-23-20-12-18(30-24-25-9-10-31-24)4-7-21(20)27-14-28-23;2*1-2/h3-8,11-14H,9-10H2,1-2H3,(H,25,30)(H,27,28,29);1-2H3;2H,1H3.

What are the key properties of 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol?

6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol has a molecular weight of 488.59 g/mol, XLogP of 5.61, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol is sourced from PubChem (CID 143005182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).