2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C9H10F2N2O — CID 125450710

IUPAC2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCCC2
InChIInChI=1S/C9H10F2N2O/c10-9(11)6-5-8(14)13-4-2-1-3-7(13)12-6/h5,9H,1-4H2
InChIKeyPSPONCJGKUQDJZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.52
Rot. Bonds1

About 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 125450710) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID125450710
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCCC2
InChIInChI=1S/C9H10F2N2O/c10-9(11)6-5-8(14)13-4-2-1-3-7(13)12-6/h5,9H,1-4H2
InChIKeyPSPONCJGKUQDJZ-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 125450710) is 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)F)nc2n1CCCC2.
What is the InChIKey of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PSPONCJGKUQDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-9(11)6-5-8(14)13-4-2-1-3-7(13)12-6/h5,9H,1-4H2.
What are the key properties of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 200.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).