2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C11H14F2N2O — CID 125449246

IUPAC2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CCn2c(nc(C(F)F)cc2=O)C1
InChIInChI=1S/C11H14F2N2O/c1-11(2)3-4-15-8(6-11)14-7(10(12)13)5-9(15)16/h5,10H,3-4,6H2,1-2H3
InChIKeyAJNRTMCREQGOOE-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.15
Rot. Bonds1

About 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 125449246) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID125449246
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CCn2c(nc(C(F)F)cc2=O)C1
InChIInChI=1S/C11H14F2N2O/c1-11(2)3-4-15-8(6-11)14-7(10(12)13)5-9(15)16/h5,10H,3-4,6H2,1-2H3
InChIKeyAJNRTMCREQGOOE-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 125449246) is 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is CC1(C)CCn2c(nc(C(F)F)cc2=O)C1.
What is the InChIKey of 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AJNRTMCREQGOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-11(2)3-4-15-8(6-11)14-7(10(12)13)5-9(15)16/h5,10H,3-4,6H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 228.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125449246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).