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

C30H27N11 — CID 90986443

IUPAC2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCc1cccc(Nc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C19H18N6.C11H9N5/c1-12-6-5-7-14(10-12)20-19-21-16-9-4-3-8-15(16)18(23-19)22-17-11-13(2)24-25-17;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h3-11H,1-2H3,(H3,20,21,22,23,24,25);1-7H,(H2,12,13,14,15,16)
InChIKeyFZUVXBJQFSWOCQ-UHFFFAOYSA-N
MW541.62 g/mol
LogP6.55
Rot. Bonds6

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

2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 90986443) has the molecular formula C30H27N11 and a molecular weight of 541.62 g/mol. Its IUPAC name is 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
PubChem CID90986443
Molecular FormulaC30H27N11
Molecular Weight541.62 g/mol
Exact Mass541.25
IUPAC Name2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCc1cccc(Nc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C19H18N6.C11H9N5/c1-12-6-5-7-14(10-12)20-19-21-16-9-4-3-8-15(16)18(23-19)22-17-11-13(2)24-25-17;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h3-11H,1-2H3,(H3,20,21,22,23,24,25);1-7H,(H2,12,13,14,15,16)
InChIKeyFZUVXBJQFSWOCQ-UHFFFAOYSA-N
XLogP6.55
TPSA145.01 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.62
LogP ≤ 56.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
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
CID 10111591
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
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (CID 90986443) is 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is Cc1cccc(Nc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1.
What is the InChIKey of 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The InChIKey is FZUVXBJQFSWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.C11H9N5/c1-12-6-5-7-14(10-12)20-19-21-16-9-4-3-8-15(16)18(23-19)22-17-11-13(2)24-25-17;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h3-11H,1-2H3,(H3,20,21,22,23,24,25);1-7H,(H2,12,13,14,15,16).
What are the key properties of 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine has a molecular weight of 541.62 g/mol, XLogP of 6.55, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 90986443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).