3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium

C8H7N2+ — CID 91551622

IUPAC3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium
SMILES[C+]1=CN=C2C=CC=CN2C1
InChIInChI=1S/C8H7N2/c1-2-6-10-7-3-5-9-8(10)4-1/h1-2,4-6H,7H2/q+1
InChIKeyCCYUEFDWJLVDHH-UHFFFAOYSA-N
MW131.16 g/mol
LogP1.10
Rot. Bonds

About 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium

3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium (PubChem CID 91551622) has the molecular formula C8H7N2+ and a molecular weight of 131.16 g/mol. Its IUPAC name is 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium.

Molecular Properties

Compound Name3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium
PubChem CID91551622
Molecular FormulaC8H7N2+
Molecular Weight131.16 g/mol
Exact Mass131.06
IUPAC Name3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium
SMILES[C+]1=CN=C2C=CC=CN2C1
InChIInChI=1S/C8H7N2/c1-2-6-10-7-3-5-9-8(10)4-1/h1-2,4-6H,7H2/q+1
InChIKeyCCYUEFDWJLVDHH-UHFFFAOYSA-N
XLogP1.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium?
The IUPAC name of 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium (CID 91551622) is 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium.
What is the SMILES notation for 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium?
The canonical SMILES for 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium is [C+]1=CN=C2C=CC=CN2C1.
What is the InChIKey of 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium?
The InChIKey is CCYUEFDWJLVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2/c1-2-6-10-7-3-5-9-8(10)4-1/h1-2,4-6H,7H2/q+1.
What are the key properties of 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium?
3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium has a molecular weight of 131.16 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyrido[1,2-a]pyrimidin-3-ylium is sourced from PubChem (CID 91551622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).