3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C14H19ClN2O — CID 3053740

IUPAC3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1c(C)nc2cccc(C)n2c1=O.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-4-5-8-12-11(3)15-13-9-6-7-10(2)16(13)14(12)17;/h6-7,9H,4-5,8H2,1-3H3;1H
InChIKeyQBYDWNLLOIUZBJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.08
Rot. Bonds3

About 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 3053740) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID3053740
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1c(C)nc2cccc(C)n2c1=O.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-4-5-8-12-11(3)15-13-9-6-7-10(2)16(13)14(12)17;/h6-7,9H,4-5,8H2,1-3H3;1H
InChIKeyQBYDWNLLOIUZBJ-UHFFFAOYSA-N
XLogP3.08
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 3053740) is 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCCCc1c(C)nc2cccc(C)n2c1=O.Cl.
What is the InChIKey of 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is QBYDWNLLOIUZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-4-5-8-12-11(3)15-13-9-6-7-10(2)16(13)14(12)17;/h6-7,9H,4-5,8H2,1-3H3;1H.
What are the key properties of 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 3053740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).