6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one

C13H13N5O2 — CID 136809563

IUPAC6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
SMILESCc1cc(Oc2nc3ccc(N)cc3c(=O)[nH]2)n(C)n1
InChIInChI=1S/C13H13N5O2/c1-7-5-11(18(2)17-7)20-13-15-10-4-3-8(14)6-9(10)12(19)16-13/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyIQGAOEOAAYLLMM-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.34
Rot. Bonds2

About 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one

6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one (PubChem CID 136809563) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
PubChem CID136809563
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
SMILESCc1cc(Oc2nc3ccc(N)cc3c(=O)[nH]2)n(C)n1
InChIInChI=1S/C13H13N5O2/c1-7-5-11(18(2)17-7)20-13-15-10-4-3-8(14)6-9(10)12(19)16-13/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyIQGAOEOAAYLLMM-UHFFFAOYSA-N
XLogP1.34
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
CID 136809447
6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
CID 136809559
6-amino-2-(3-methylbutan-2-yloxy)-3H-quinazolin-4-one
CID 136809560
2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine
CID 81341241
6-amino-2-(2-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809564
6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809561
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
CID 136809586
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
CID 136809460
6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
CID 136809534
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one
CID 136809550
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one (CID 136809563) is 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one is Cc1cc(Oc2nc3ccc(N)cc3c(=O)[nH]2)n(C)n1.
What is the InChIKey of 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one?
The InChIKey is IQGAOEOAAYLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-7-5-11(18(2)17-7)20-13-15-10-4-3-8(14)6-9(10)12(19)16-13/h3-6H,14H2,1-2H3,(H,15,16,19).
What are the key properties of 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one?
6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one has a molecular weight of 271.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one is sourced from PubChem (CID 136809563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).