2-amino-5-bromo-6-methylidenequinazolin-4-one

C9H6BrN3O — CID 75214799

IUPAC2-amino-5-bromo-6-methylidenequinazolin-4-one
SMILESC=c1ccc2c(c1Br)C(=O)N=C(N)N=2
InChIInChI=1S/C9H6BrN3O/c1-4-2-3-5-6(7(4)10)8(14)13-9(11)12-5/h2-3H,1H2,(H2,11,13,14)
InChIKeyGEKAKXWRMZONFR-UHFFFAOYSA-N
MW252.07 g/mol
LogP-0.05
Rot. Bonds

About 2-amino-5-bromo-6-methylidenequinazolin-4-one

2-amino-5-bromo-6-methylidenequinazolin-4-one (PubChem CID 75214799) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 2-amino-5-bromo-6-methylidenequinazolin-4-one.

Molecular Properties

Compound Name2-amino-5-bromo-6-methylidenequinazolin-4-one
PubChem CID75214799
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name2-amino-5-bromo-6-methylidenequinazolin-4-one
SMILESC=c1ccc2c(c1Br)C(=O)N=C(N)N=2
InChIInChI=1S/C9H6BrN3O/c1-4-2-3-5-6(7(4)10)8(14)13-9(11)12-5/h2-3H,1H2,(H2,11,13,14)
InChIKeyGEKAKXWRMZONFR-UHFFFAOYSA-N
XLogP-0.05
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
7-bromo-6H-quinazolin-4-one
CID 91025472
6-bromo-8H-quinazolin-4-one
CID 91607100
8,8-Dibromoquinazolin-4-one
CID 174762623
6-bromo-6H-quinazolin-4-one
CID 71303925
8-bromo-8H-quinazolin-4-one
CID 71304081
2-amino-7-bromo-4aH-quinazolin-4-one
CID 72208491
8-bromo-4aH-quinazolin-4-one
CID 72218696
2-amino-6-bromo-6H-quinazolin-4-one
CID 72739156
6-bromo-2-chloro-6H-quinazolin-4-one
CID 73300429
5-bromo-4aH-quinazolin-4-one
CID 73659299

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-methylidenequinazolin-4-one?
The IUPAC name of 2-amino-5-bromo-6-methylidenequinazolin-4-one (CID 75214799) is 2-amino-5-bromo-6-methylidenequinazolin-4-one.
What is the SMILES notation for 2-amino-5-bromo-6-methylidenequinazolin-4-one?
The canonical SMILES for 2-amino-5-bromo-6-methylidenequinazolin-4-one is C=c1ccc2c(c1Br)C(=O)N=C(N)N=2.
What is the InChIKey of 2-amino-5-bromo-6-methylidenequinazolin-4-one?
The InChIKey is GEKAKXWRMZONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c1-4-2-3-5-6(7(4)10)8(14)13-9(11)12-5/h2-3H,1H2,(H2,11,13,14).
What are the key properties of 2-amino-5-bromo-6-methylidenequinazolin-4-one?
2-amino-5-bromo-6-methylidenequinazolin-4-one has a molecular weight of 252.07 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-methylidenequinazolin-4-one is sourced from PubChem (CID 75214799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).