2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C8H9BrN2O — CID 83823746

IUPAC2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Br)nc2n1CCCC2
InChIInChI=1S/C8H9BrN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h5H,1-4H2
InChIKeyQGKZDNPHANGSNB-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.34
Rot. Bonds

About 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83823746) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83823746
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Br)nc2n1CCCC2
InChIInChI=1S/C8H9BrN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h5H,1-4H2
InChIKeyQGKZDNPHANGSNB-UHFFFAOYSA-N
XLogP1.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
6,7,8,9-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 526446
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
3-Bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 82622229
2-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873338
2-Hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 135456620
9-Bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154324804
9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 163549058
6,7,8,9-Tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 172791637
1,6-Dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
CID 214564
(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12823305

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83823746) is 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is O=c1cc(Br)nc2n1CCCC2.
What is the InChIKey of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QGKZDNPHANGSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h5H,1-4H2.
What are the key properties of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 229.08 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83823746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).