7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione

C9H6Br2N2O2 — CID 166150349

IUPAC7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cc(=O)[nH]c2c(Br)c(=O)c(Br)cn12
InChIInChI=1S/C9H6Br2N2O2/c1-4-2-6(14)12-9-7(11)8(15)5(10)3-13(4)9/h2-3H,1H3,(H,12,14)
InChIKeyFHDKIZQLJKAGEK-UHFFFAOYSA-N
MW333.97 g/mol
LogP1.82
Rot. Bonds

About 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione

7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione (PubChem CID 166150349) has the molecular formula C9H6Br2N2O2 and a molecular weight of 333.97 g/mol. Its IUPAC name is 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione
PubChem CID166150349
Molecular FormulaC9H6Br2N2O2
Molecular Weight333.97 g/mol
Exact Mass331.88
IUPAC Name7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cc(=O)[nH]c2c(Br)c(=O)c(Br)cn12
InChIInChI=1S/C9H6Br2N2O2/c1-4-2-6(14)12-9-7(11)8(15)5(10)3-13(4)9/h2-3H,1H3,(H,12,14)
InChIKeyFHDKIZQLJKAGEK-UHFFFAOYSA-N
XLogP1.82
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione
CID 27211061
3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224847
3,5-dibromo-2-methyl-1H-pyridin-4-one
CID 126572034
(5Z,6E)-5,6-di(ethylidene)-4-methylpyridin-2-one
CID 139296680
3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224852
3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 176689665
6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate
CID 20786943
6-methyl-1-(2,4,5-trichloroanilino)pyrimidine-2,4-dione
CID 24786352
1-butan-2-yl-6-methylpyrimidine-2,4-dione
CID 67797198
3-bromo-5,6-dimethyl-1H-pyridin-2-one
CID 50944339
(4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite
CID 146326744
6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc
CID 174846708

Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione (CID 166150349) is 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione is Cc1cc(=O)[nH]c2c(Br)c(=O)c(Br)cn12.
What is the InChIKey of 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is FHDKIZQLJKAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O2/c1-4-2-6(14)12-9-7(11)8(15)5(10)3-13(4)9/h2-3H,1H3,(H,12,14).
What are the key properties of 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione?
7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 333.97 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 166150349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).