6-bromo-2-methyl-3H-pteridin-4-one

C7H5BrN4O — CID 136981391

IUPAC6-bromo-2-methyl-3H-pteridin-4-one
SMILESCc1nc2ncc(Br)nc2c(=O)[nH]1
InChIInChI=1S/C7H5BrN4O/c1-3-10-6-5(7(13)11-3)12-4(8)2-9-6/h2H,1H3,(H,9,10,11,13)
InChIKeyZSYWVTJMMNCKFL-UHFFFAOYSA-N
MW241.05 g/mol
LogP0.78
Rot. Bonds

About 6-bromo-2-methyl-3H-pteridin-4-one

6-bromo-2-methyl-3H-pteridin-4-one (PubChem CID 136981391) has the molecular formula C7H5BrN4O and a molecular weight of 241.05 g/mol. Its IUPAC name is 6-bromo-2-methyl-3H-pteridin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3H-pteridin-4-one
PubChem CID136981391
Molecular FormulaC7H5BrN4O
Molecular Weight241.05 g/mol
Exact Mass239.96
IUPAC Name6-bromo-2-methyl-3H-pteridin-4-one
SMILESCc1nc2ncc(Br)nc2c(=O)[nH]1
InChIInChI=1S/C7H5BrN4O/c1-3-10-6-5(7(13)11-3)12-4(8)2-9-6/h2H,1H3,(H,9,10,11,13)
InChIKeyZSYWVTJMMNCKFL-UHFFFAOYSA-N
XLogP0.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dimethyl-3H-pteridin-4-one
CID 135822589
2-(dimethylamino)-6-methyl-3H-pteridin-4-one
CID 141002834
2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one
CID 149062893
5-bromo-8-chloro-2-methyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155463570
2-methyl-1,7-dihydropurin-6-one
CID 135449674
2-methyl-6-[2-(4-pentanoylphenyl)ethyl]-3H-pteridin-4-one
CID 136653899
4-methyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8-tetraen-11-one
CID 141208367
2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 132588390
6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 163365640
8-bromo-2,7-dimethyl-3H-quinazolin-4-one
CID 135894574
6-bromo-2,8-dimethyl-3H-quinazolin-4-one
CID 137009991
5-bromo-1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
CID 155796652

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3H-pteridin-4-one?
The IUPAC name of 6-bromo-2-methyl-3H-pteridin-4-one (CID 136981391) is 6-bromo-2-methyl-3H-pteridin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3H-pteridin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3H-pteridin-4-one is Cc1nc2ncc(Br)nc2c(=O)[nH]1.
What is the InChIKey of 6-bromo-2-methyl-3H-pteridin-4-one?
The InChIKey is ZSYWVTJMMNCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O/c1-3-10-6-5(7(13)11-3)12-4(8)2-9-6/h2H,1H3,(H,9,10,11,13).
What are the key properties of 6-bromo-2-methyl-3H-pteridin-4-one?
6-bromo-2-methyl-3H-pteridin-4-one has a molecular weight of 241.05 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3H-pteridin-4-one is sourced from PubChem (CID 136981391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).