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

C31H29N11 — CID 91149750

IUPAC2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1C
InChIInChI=1S/C19H18N6.C12H11N5/c1-12-7-8-14(11-13(12)2)21-19-22-16-6-4-3-5-15(16)18(24-19)23-17-9-10-20-25-17;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h3-11H,1-2H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyOIXWYSDGIGTWFV-UHFFFAOYSA-N
MW555.65 g/mol
LogP6.86
Rot. Bonds6

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

2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 91149750) has the molecular formula C31H29N11 and a molecular weight of 555.65 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID91149750
Molecular FormulaC31H29N11
Molecular Weight555.65 g/mol
Exact Mass555.26
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1C
InChIInChI=1S/C19H18N6.C12H11N5/c1-12-7-8-14(11-13(12)2)21-19-22-16-6-4-3-5-15(16)18(24-19)23-17-9-10-20-25-17;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h3-11H,1-2H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyOIXWYSDGIGTWFV-UHFFFAOYSA-N
XLogP6.86
TPSA145.01 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.65
LogP ≤ 56.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

PF-04254644
CID 24871823
Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
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Izencitinib
CID 124090478
Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
Aminoquinazoline, 19
CID 24863072
(1-Benzyl-1H-indazol-5-yl)-quinazolin-4-yl-amine
CID 44279444
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165
VU2957
CID 134191471
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 91149750) is 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is OIXWYSDGIGTWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.C12H11N5/c1-12-7-8-14(11-13(12)2)21-19-22-16-6-4-3-5-15(16)18(24-19)23-17-9-10-20-25-17;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h3-11H,1-2H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 555.65 g/mol, XLogP of 6.86, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 91149750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).