1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one

C11H17N2O+ — CID 71441681

IUPAC1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
SMILESCc1c[n+](C)c2n(c1=O)C(C)CCC2
InChIInChI=1S/C11H17N2O/c1-8-7-12(3)10-6-4-5-9(2)13(10)11(8)14/h7,9H,4-6H2,1-3H3/q+1
InChIKeyBGWYZAFLZHPRNA-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.88
Rot. Bonds

About 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one

1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one (PubChem CID 71441681) has the molecular formula C11H17N2O+ and a molecular weight of 193.27 g/mol. Its IUPAC name is 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one.

Molecular Properties

Compound Name1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
PubChem CID71441681
Molecular FormulaC11H17N2O+
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
SMILESCc1c[n+](C)c2n(c1=O)C(C)CCC2
InChIInChI=1S/C11H17N2O/c1-8-7-12(3)10-6-4-5-9(2)13(10)11(8)14/h7,9H,4-6H2,1-3H3/q+1
InChIKeyBGWYZAFLZHPRNA-UHFFFAOYSA-N
XLogP0.88
TPSA25.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
The IUPAC name of 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one (CID 71441681) is 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one.
What is the SMILES notation for 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
The canonical SMILES for 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one is Cc1c[n+](C)c2n(c1=O)C(C)CCC2.
What is the InChIKey of 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
The InChIKey is BGWYZAFLZHPRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O/c1-8-7-12(3)10-6-4-5-9(2)13(10)11(8)14/h7,9H,4-6H2,1-3H3/q+1.
What are the key properties of 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one has a molecular weight of 193.27 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one is sourced from PubChem (CID 71441681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).