2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate

C10H11ClN2O5 — CID 2827826

IUPAC2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate
SMILESCc1cc(C)[n+]2cccc(O)c2n1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H10N2O.ClHO4/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)
InChIKeyQFLISURJTPOAJI-UHFFFAOYSA-N
MW274.66 g/mol
LogP-3.61
Rot. Bonds

About 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate

2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate (PubChem CID 2827826) has the molecular formula C10H11ClN2O5 and a molecular weight of 274.66 g/mol. Its IUPAC name is 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate.

Molecular Properties

Compound Name2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate
PubChem CID2827826
Molecular FormulaC10H11ClN2O5
Molecular Weight274.66 g/mol
Exact Mass274.04
IUPAC Name2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate
SMILESCc1cc(C)[n+]2cccc(O)c2n1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H10N2O.ClHO4/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)
InChIKeyQFLISURJTPOAJI-UHFFFAOYSA-N
XLogP-3.61
TPSA129.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 5-3.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate?
The IUPAC name of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate (CID 2827826) is 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate.
What is the SMILES notation for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate?
The canonical SMILES for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate is Cc1cc(C)[n+]2cccc(O)c2n1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate?
The InChIKey is QFLISURJTPOAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.ClHO4/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5).
What are the key properties of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate?
2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate has a molecular weight of 274.66 g/mol, XLogP of -3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol perchlorate is sourced from PubChem (CID 2827826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).