3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione

C9H9BrN2O2 — CID 82623480

IUPAC3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
SMILESCc1nc2n(c(=O)c1Br)CCCC2=O
InChIInChI=1S/C9H9BrN2O2/c1-5-7(10)9(14)12-4-2-3-6(13)8(12)11-5/h2-4H2,1H3
InChIKeyDHQVSTCYGAOPBP-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.29
Rot. Bonds

About 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione

3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione (PubChem CID 82623480) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione.

Molecular Properties

Compound Name3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
PubChem CID82623480
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
SMILESCc1nc2n(c(=O)c1Br)CCCC2=O
InChIInChI=1S/C9H9BrN2O2/c1-5-7(10)9(14)12-4-2-3-6(13)8(12)11-5/h2-4H2,1H3
InChIKeyDHQVSTCYGAOPBP-UHFFFAOYSA-N
XLogP1.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
CID 70245643
3-Bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 82622229
Paliperidone Impurity 100
CID 143923280
5-Bromo-6-methyl-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
CID 66309187
5-Bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one
CID 66310244
5-Bromo-6-methyl-3-(2-oxopentyl)pyrimidin-4-one
CID 66310681
3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
CID 82622221

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The IUPAC name of 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione (CID 82623480) is 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione.
What is the SMILES notation for 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The canonical SMILES for 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione is Cc1nc2n(c(=O)c1Br)CCCC2=O.
What is the InChIKey of 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The InChIKey is DHQVSTCYGAOPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-5-7(10)9(14)12-4-2-3-6(13)8(12)11-5/h2-4H2,1H3.
What are the key properties of 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione has a molecular weight of 257.09 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione is sourced from PubChem (CID 82623480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).