3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C12H15ClN2O — CID 12527405

IUPAC3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCc1c(C)nc2ccc(C)cn2c1=O.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-4-10-9(3)13-11-6-5-8(2)7-14(11)12(10)15;/h5-7H,4H2,1-3H3;1H
InChIKeyUBPRNGAWENRBJX-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.30
Rot. Bonds1

About 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 12527405) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID12527405
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCc1c(C)nc2ccc(C)cn2c1=O.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-4-10-9(3)13-11-6-5-8(2)7-14(11)12(10)15;/h5-7H,4H2,1-3H3;1H
InChIKeyUBPRNGAWENRBJX-UHFFFAOYSA-N
XLogP2.30
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 12527405) is 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCc1c(C)nc2ccc(C)cn2c1=O.Cl.
What is the InChIKey of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is UBPRNGAWENRBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-4-10-9(3)13-11-6-5-8(2)7-14(11)12(10)15;/h5-7H,4H2,1-3H3;1H.
What are the key properties of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 12527405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).