pyrido[1,2-a]pyrimidin-4-one;dihydrochloride

C8H8Cl2N2O — CID 70400858

IUPACpyrido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccnc2ccccn12
InChIInChI=1S/C8H6N2O.2ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;;/h1-6H;2*1H
InChIKeyBNUCOZKIHBFJSV-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.54
Rot. Bonds

About pyrido[1,2-a]pyrimidin-4-one;dihydrochloride

pyrido[1,2-a]pyrimidin-4-one;dihydrochloride (PubChem CID 70400858) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is pyrido[1,2-a]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Namepyrido[1,2-a]pyrimidin-4-one;dihydrochloride
PubChem CID70400858
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Namepyrido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccnc2ccccn12
InChIInChI=1S/C8H6N2O.2ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;;/h1-6H;2*1H
InChIKeyBNUCOZKIHBFJSV-UHFFFAOYSA-N
XLogP1.54
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The IUPAC name of pyrido[1,2-a]pyrimidin-4-one;dihydrochloride (CID 70400858) is pyrido[1,2-a]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for pyrido[1,2-a]pyrimidin-4-one;dihydrochloride is Cl.Cl.O=c1ccnc2ccccn12.
What is the InChIKey of pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The InChIKey is BNUCOZKIHBFJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.2ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;;/h1-6H;2*1H.
What are the key properties of pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
pyrido[1,2-a]pyrimidin-4-one;dihydrochloride has a molecular weight of 219.07 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-a]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 70400858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).