2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate

C10H10N2O — CID 11275309

IUPAC2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate
SMILESCc1nc2cccc[n+]2c(C)c1[O-]
InChIInChI=1S/C10H10N2O/c1-7-10(13)8(2)12-6-4-3-5-9(12)11-7/h3-6H,1-2H3
InChIKeyKDTJYDLSCGZZLD-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.51
Rot. Bonds

About 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate

2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate (PubChem CID 11275309) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate.

Molecular Properties

Compound Name2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate
PubChem CID11275309
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate
SMILESCc1nc2cccc[n+]2c(C)c1[O-]
InChIInChI=1S/C10H10N2O/c1-7-10(13)8(2)12-6-4-3-5-9(12)11-7/h3-6H,1-2H3
InChIKeyKDTJYDLSCGZZLD-UHFFFAOYSA-N
XLogP0.51
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 1470719
CID 1470719
CID 1470848
CID 1470848
CID 11183685
CID 11183685
CID 51040288
CID 51040288
CID 1474141
CID 1474141
CID 673387
CID 673387
CID 1470841
CID 1470841
CID 51040496
CID 51040496
CID 51040497
CID 51040497
CID 51042018
CID 51042018
CID 51042022
CID 51042022
CID 51042235
CID 51042235

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate?
The IUPAC name of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate (CID 11275309) is 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate.
What is the SMILES notation for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate?
The canonical SMILES for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate is Cc1nc2cccc[n+]2c(C)c1[O-].
What is the InChIKey of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate?
The InChIKey is KDTJYDLSCGZZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-10(13)8(2)12-6-4-3-5-9(12)11-7/h3-6H,1-2H3.
What are the key properties of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate?
2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate has a molecular weight of 174.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate is sourced from PubChem (CID 11275309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).