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

C8H7BrN2O2 — CID 82622221

IUPAC3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
SMILESO=C1CCCn2c1ncc(Br)c2=O
InChIInChI=1S/C8H7BrN2O2/c9-5-4-10-7-6(12)2-1-3-11(7)8(5)13/h4H,1-3H2
InChIKeyLVWIXAVWFUAZEM-UHFFFAOYSA-N
MW243.06 g/mol
LogP0.98
Rot. Bonds

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

3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione (PubChem CID 82622221) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione.

Molecular Properties

Compound Name3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
PubChem CID82622221
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
SMILESO=C1CCCn2c1ncc(Br)c2=O
InChIInChI=1S/C8H7BrN2O2/c9-5-4-10-7-6(12)2-1-3-11(7)8(5)13/h4H,1-3H2
InChIKeyLVWIXAVWFUAZEM-UHFFFAOYSA-N
XLogP0.98
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-2-methyl-3-(4-oxopentyl)pyrimidin-4-one
CID 66308603
5-Bromo-2-methyl-3-(2-oxopentyl)pyrimidin-4-one
CID 66309886
5-Bromo-2-methyl-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
CID 66310089
3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
CID 82623480

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The IUPAC name of 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione (CID 82622221) is 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione.
What is the SMILES notation for 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The canonical SMILES for 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione is O=C1CCCn2c1ncc(Br)c2=O.
What is the InChIKey of 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The InChIKey is LVWIXAVWFUAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-5-4-10-7-6(12)2-1-3-11(7)8(5)13/h4H,1-3H2.
What are the key properties of 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione has a molecular weight of 243.06 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione is sourced from PubChem (CID 82622221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).