9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C10H11ClN2O2 — CID 21436702

IUPAC9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2ccc(C)c(O)c2n1.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-6-3-4-12-8(13)5-7(2)11-10(12)9(6)14;/h3-5,14H,1-2H3;1H
InChIKeyPAIFBQJYPQCOPJ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.44
Rot. Bonds

About 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 21436702) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID21436702
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2ccc(C)c(O)c2n1.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-6-3-4-12-8(13)5-7(2)11-10(12)9(6)14;/h3-5,14H,1-2H3;1H
InChIKeyPAIFBQJYPQCOPJ-UHFFFAOYSA-N
XLogP1.44
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 21436702) is 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cc(=O)n2ccc(C)c(O)c2n1.Cl.
What is the InChIKey of 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is PAIFBQJYPQCOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c1-6-3-4-12-8(13)5-7(2)11-10(12)9(6)14;/h3-5,14H,1-2H3;1H.
What are the key properties of 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 21436702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).