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

C31H28FN11 — CID 91311454

IUPAC2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C19H17FN6.C12H11N5/c1-12-10-17(26-25-12)23-18-15-4-2-3-5-16(15)22-19(24-18)21-11-13-6-8-14(20)9-7-13;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10H,11H2,1H3,(H3,21,22,23,24,25,26);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyIKJQEIFTRVFVJK-UHFFFAOYSA-N
MW573.64 g/mol
LogP6.56
Rot. Bonds7

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

2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 91311454) has the molecular formula C31H28FN11 and a molecular weight of 573.64 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID91311454
Molecular FormulaC31H28FN11
Molecular Weight573.64 g/mol
Exact Mass573.25
IUPAC Name2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C19H17FN6.C12H11N5/c1-12-10-17(26-25-12)23-18-15-4-2-3-5-16(15)22-19(24-18)21-11-13-6-8-14(20)9-7-13;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10H,11H2,1H3,(H3,21,22,23,24,25,26);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyIKJQEIFTRVFVJK-UHFFFAOYSA-N
XLogP6.56
TPSA145.01 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.64
LogP ≤ 56.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
Izencitinib
CID 124090478
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-[4-(Quinazolin-4-Ylamino)phenyl]urea
CID 60202316
Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
N~2~-(1h-Benzimidazol-6-Yl)-N~4~-(5-Cyclobutyl-1h-Pyrazol-3-Yl)quinazoline-2,4-Diamine
CID 86346643
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
Plk4-IN-4
CID 168279678
6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168296665
(4Z)-4-[(2E)-(4-fluorobenzylidene)hydrazinylidene]-2-(pyridin-3-yl)-3,4-dihydroquinazoline
CID 6866505
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-pyridin-2-ylquinazolin-4-amine
CID 9636918
N-((1R)-1-phenylethyl)-6-(1H-pyrazolo(3,4-d)pyrimidin-4-yl)quinazolin-2-amine
CID 135281127

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 91311454) is 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is IKJQEIFTRVFVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6.C12H11N5/c1-12-10-17(26-25-12)23-18-15-4-2-3-5-16(15)22-19(24-18)21-11-13-6-8-14(20)9-7-13;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10H,11H2,1H3,(H3,21,22,23,24,25,26);2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 573.64 g/mol, XLogP of 6.56, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 91311454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).