[3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C31H29N11O — CID 90799700

About [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

[3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 90799700) has the molecular formula C31H29N11O and a molecular weight of 571.65 g/mol. Its IUPAC name is [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

• Compound Name: [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
• PubChem CID: 90799700
• Molecular Formula: C31H29N11O
• Molecular Weight: 571.65 g/mol
• Exact Mass: 571.26
• IUPAC Name: [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
• SMILES: Cc1cc(Nc2nc(Nc3cccc(CO)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
• InChI: InChI=1S/C19H18N6O.C12H11N5/c1-12-9-17(25-24-12)22-18-15-7-2-3-8-16(15)21-19(23-18)20-14-6-4-5-13(10-14)11-26;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10,26H,11H2,1H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17)
• InChIKey: JJOSLGSGZKCAIR-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 165.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	571.65
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The IUPAC name of [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 90799700) is [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

What is the SMILES notation for [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The canonical SMILES for [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(Nc3cccc(CO)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.

What is the InChIKey of [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The InChIKey is JJOSLGSGZKCAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O.C12H11N5/c1-12-9-17(25-24-12)22-18-15-7-2-3-8-16(15)21-19(23-18)20-14-6-4-5-13(10-14)11-26;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10,26H,11H2,1H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17).

What are the key properties of [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

[3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 571.65 g/mol, XLogP of 6.05, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 90799700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).