2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

C64H54N22 — CID 90706558

About 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 90706558) has the molecular formula C64H54N22 and a molecular weight of 1131.29 g/mol. Its IUPAC name is 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
• PubChem CID: 90706558
• Molecular Formula: C64H54N22
• Molecular Weight: 1131.29 g/mol
• Exact Mass: 1130.49
• IUPAC Name: 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1-c1ccccc1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
• InChI: InChI=1S/C24H20N6.C17H14N6.C12H11N5.C11H9N5/c1-16-11-12-18(15-20(16)17-7-3-2-4-8-17)26-24-27-21-10-6-5-9-19(21)23(29-24)28-22-13-14-25-30-22;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h2-15H,1H3,(H3,25,26,27,28,29,30);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16)
• InChIKey: BFMSCTOJDSSGLQ-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 290.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1131.29
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?

The IUPAC name of 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (CID 90706558) is 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.

What is the SMILES notation for 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?

The canonical SMILES for 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1-c1ccccc1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1.

What is the InChIKey of 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?

The InChIKey is BFMSCTOJDSSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6.C17H14N6.C12H11N5.C11H9N5/c1-16-11-12-18(15-20(16)17-7-3-2-4-8-17)26-24-27-21-10-6-5-9-19(21)23(29-24)28-22-13-14-25-30-22;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h2-15H,1H3,(H3,25,26,27,28,29,30);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16).

What are the key properties of 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?

2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine has a molecular weight of 1131.29 g/mol, XLogP of 14.16, 13 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 90706558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).