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

C9H11BrN2O — CID 82622229

IUPAC3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1Br)CCCC2
InChIInChI=1S/C9H11BrN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H2,1H3
InChIKeyVPYJUXUMIUHSDD-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.65
Rot. Bonds

About 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 82622229) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID82622229
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1Br)CCCC2
InChIInChI=1S/C9H11BrN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H2,1H3
InChIKeyVPYJUXUMIUHSDD-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
2,3-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 13183101
3-Methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
CID 59974001
3-Methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten(2+)
CID 20707058
5-Bromo-6-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66308545
5-Bromo-6-methyl-3-pentylpyrimidin-4-one
CID 66309412
3-bromo-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
CID 82623480
2-Bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83823746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 82622229) is 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1Br)CCCC2.
What is the InChIKey of 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VPYJUXUMIUHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H2,1H3.
What are the key properties of 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.10 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 82622229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).