3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

C60H54N22O — CID 91031981

IUPAC3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCc1cc(Nc2nc(Nc3cccc(O)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6O.C18H16N6.2C12H11N5/c1-11-9-16(24-23-11)21-17-14-7-2-3-8-15(14)20-18(22-17)19-12-5-4-6-13(25)10-12;1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10,25H,1H3,(H3,19,20,21,22,23,24);2-11H,1H3,(H3,19,20,21,22,23,24);2*2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyCFPHDXMJUABTLP-UHFFFAOYSA-N
MW1099.24 g/mol
LogP12.81
Rot. Bonds12

About 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (PubChem CID 91031981) has the molecular formula C60H54N22O and a molecular weight of 1099.24 g/mol. Its IUPAC name is 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine).

Molecular Properties

Compound Name3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
PubChem CID91031981
Molecular FormulaC60H54N22O
Molecular Weight1099.24 g/mol
Exact Mass1098.49
IUPAC Name3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCc1cc(Nc2nc(Nc3cccc(O)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6O.C18H16N6.2C12H11N5/c1-11-9-16(24-23-11)21-17-14-7-2-3-8-15(14)20-18(22-17)19-12-5-4-6-13(25)10-12;1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10,25H,1H3,(H3,19,20,21,22,23,24);2-11H,1H3,(H3,19,20,21,22,23,24);2*2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyCFPHDXMJUABTLP-UHFFFAOYSA-N
XLogP12.81
TPSA310.25 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001099.24
LogP ≤ 512.81
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-[(5-Methyl-1h-pyrazol-3-yl)amino]-2-quinazolinyl]amino]phenol
CID 9902139
3-[9-phenyl-8-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-4-ium-1-yl]phenol
CID 89454524
4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-7-ol
CID 140222728
4-(1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol;4-(16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,16-octaen-11-yl)phenol
CID 157243349
2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3,13-dimethyl-4,5,7,9,11,13,14-heptazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11-hexaene;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157909581
benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
CID 159623271
2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol
CID 161027744
2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol
CID 161054283
2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 161170912
3-[[1-[4-[2-[[1-[3-[2-[[1-Ethyl-6-[(2-methylpyrimidin-4-yl)amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-4-hydroxy-3-methylphenyl]propyl]-6-[(2-methylpyrazol-3-yl)amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-4-hydroxy-3-methylphenyl]butan-2-yl]-6-[(1-methylpyrazol-3-yl)amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol
CID 178022436

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(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]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (CID 91031981) is 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(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]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(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]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is Cc1cc(Nc2nc(Nc3cccc(O)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)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]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The InChIKey is CFPHDXMJUABTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C18H16N6.2C12H11N5/c1-11-9-16(24-23-11)21-17-14-7-2-3-8-15(14)20-18(22-17)19-12-5-4-6-13(25)10-12;1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10,25H,1H3,(H3,19,20,21,22,23,24);2-11H,1H3,(H3,19,20,21,22,23,24);2*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]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) has a molecular weight of 1099.24 g/mol, XLogP of 12.81, 12 rotatable bonds, 11 hydrogen bond donors, and 19 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]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is sourced from PubChem (CID 91031981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).