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

C10H11N2O+ — CID 796647

IUPAC2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol
SMILESCc1cc(C)[n+]2cccc(O)c2n1
InChIInChI=1S/C10H10N2O/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7/h3-6H,1-2H3/p+1
InChIKeyQQTFUUWRTCNLLD-UHFFFAOYSA-O
MW175.21 g/mol
LogP1.14
Rot. Bonds

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

2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol (PubChem CID 796647) has the molecular formula C10H11N2O+ and a molecular weight of 175.21 g/mol. Its IUPAC name is 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol.

Molecular Properties

Compound Name2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol
PubChem CID796647
Molecular FormulaC10H11N2O+
Molecular Weight175.21 g/mol
Exact Mass175.09
IUPAC Name2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol
SMILESCc1cc(C)[n+]2cccc(O)c2n1
InChIInChI=1S/C10H10N2O/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7/h3-6H,1-2H3/p+1
InChIKeyQQTFUUWRTCNLLD-UHFFFAOYSA-O
XLogP1.14
TPSA37.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 51.14
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-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol?
The IUPAC name of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol (CID 796647) is 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol.
What is the SMILES notation for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol?
The canonical SMILES for 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol is Cc1cc(C)[n+]2cccc(O)c2n1.
What is the InChIKey of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol?
The InChIKey is QQTFUUWRTCNLLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N2O/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7/h3-6H,1-2H3/p+1.
What are the key properties of 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol?
2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol has a molecular weight of 175.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 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-9-ol is sourced from PubChem (CID 796647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).