7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C24H25F3N2O — CID 164675443

IUPAC7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CC(CC(F)(F)F)C2=NC(c3ccccc3)(c3ccccc3)CC(=O)N2C1
InChIInChI=1S/C24H25F3N2O/c1-22(2)13-17(14-24(25,26)27)21-28-23(15-20(30)29(21)16-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeyAHRWJJUFTKMDKH-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.56
Rot. Bonds3

About 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 164675443) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID164675443
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CC(CC(F)(F)F)C2=NC(c3ccccc3)(c3ccccc3)CC(=O)N2C1
InChIInChI=1S/C24H25F3N2O/c1-22(2)13-17(14-24(25,26)27)21-28-23(15-20(30)29(21)16-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeyAHRWJJUFTKMDKH-UHFFFAOYSA-N
XLogP5.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 164675443) is 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1(C)CC(CC(F)(F)F)C2=NC(c3ccccc3)(c3ccccc3)CC(=O)N2C1.
What is the InChIKey of 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AHRWJJUFTKMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c1-22(2)13-17(14-24(25,26)27)21-28-23(15-20(30)29(21)16-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3.
What are the key properties of 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 414.47 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164675443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).