1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one

C8H10N2O — CID 53447377

IUPAC1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
SMILESO=c1cccc2n1CCCN2
InChIInChI=1S/C8H10N2O/c11-8-4-1-3-7-9-5-2-6-10(7)8/h1,3-4,9H,2,5-6H2
InChIKeyCYRXXOKSUGGUPM-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.66
Rot. Bonds

About 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one

1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one (PubChem CID 53447377) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
PubChem CID53447377
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
SMILESO=c1cccc2n1CCCN2
InChIInChI=1S/C8H10N2O/c11-8-4-1-3-7-9-5-2-6-10(7)8/h1,3-4,9H,2,5-6H2
InChIKeyCYRXXOKSUGGUPM-UHFFFAOYSA-N
XLogP0.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The IUPAC name of 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one (CID 53447377) is 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one is O=c1cccc2n1CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The InChIKey is CYRXXOKSUGGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-4-1-3-7-9-5-2-6-10(7)8/h1,3-4,9H,2,5-6H2.
What are the key properties of 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one has a molecular weight of 150.18 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 53447377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).