1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate

C10H10N2O2 — CID 10774027

IUPAC1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
SMILESCc1c([O-])[n+](C)c2ccccn2c1=O
InChIInChI=1S/C10H10N2O2/c1-7-9(13)11(2)8-5-3-4-6-12(8)10(7)14/h3-6H,1-2H3
InChIKeyDLRXKIWPJSJKOY-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.49
Rot. Bonds

About 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate

1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate (PubChem CID 10774027) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate.

Molecular Properties

Compound Name1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
PubChem CID10774027
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
SMILESCc1c([O-])[n+](C)c2ccccn2c1=O
InChIInChI=1S/C10H10N2O2/c1-7-9(13)11(2)8-5-3-4-6-12(8)10(7)14/h3-6H,1-2H3
InChIKeyDLRXKIWPJSJKOY-UHFFFAOYSA-N
XLogP-0.49
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135448456
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
3-Ethyl-4-hydroxypyrido[1,2-a]pyrimidin-2-one
CID 135419040
3,6-Dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 520938
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
9-Methyl-3,4-dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
CID 332623
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-
CID 3079290
Pyrrolidine, 1-((6-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidin-3-yl)carbonyl)-
CID 3079297

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate?
The IUPAC name of 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate (CID 10774027) is 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate.
What is the SMILES notation for 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate?
The canonical SMILES for 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate is Cc1c([O-])[n+](C)c2ccccn2c1=O.
What is the InChIKey of 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate?
The InChIKey is DLRXKIWPJSJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-9(13)11(2)8-5-3-4-6-12(8)10(7)14/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate?
1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate has a molecular weight of 190.20 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate is sourced from PubChem (CID 10774027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).