2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride

C11H13ClN2O — CID 10105065

IUPAC2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride
SMILESCc1cc(O)c2nc(C)cc(C)[n+]2c1.[Cl-]
InChIInChI=1S/C11H12N2O.ClH/c1-7-4-10(14)11-12-8(2)5-9(3)13(11)6-7;/h4-6H,1-3H3;1H
InChIKeyWUOUGALNMCJZDY-UHFFFAOYSA-N
MW224.69 g/mol
LogP-1.54
Rot. Bonds

About 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride

2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride (PubChem CID 10105065) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride.

Molecular Properties

Compound Name2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride
PubChem CID10105065
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride
SMILESCc1cc(O)c2nc(C)cc(C)[n+]2c1.[Cl-]
InChIInChI=1S/C11H12N2O.ClH/c1-7-4-10(14)11-12-8(2)5-9(3)13(11)6-7;/h4-6H,1-3H3;1H
InChIKeyWUOUGALNMCJZDY-UHFFFAOYSA-N
XLogP-1.54
TPSA37.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride?
The IUPAC name of 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride (CID 10105065) is 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride.
What is the SMILES notation for 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride?
The canonical SMILES for 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride is Cc1cc(O)c2nc(C)cc(C)[n+]2c1.[Cl-].
What is the InChIKey of 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride?
The InChIKey is WUOUGALNMCJZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-7-4-10(14)11-12-8(2)5-9(3)13(11)6-7;/h4-6H,1-3H3;1H.
What are the key properties of 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride?
2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride has a molecular weight of 224.69 g/mol, XLogP of -1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride is sourced from PubChem (CID 10105065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).