7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H18F3N3O2 — CID 155955810

IUPAC7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CC(C(=O)N2CCc3c(nc[nH]c3=O)C2)C1C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c1-14(2)5-9(11(14)15(16,17)18)13(23)21-4-3-8-10(6-21)19-7-20-12(8)22/h7,9,11H,3-6H2,1-2H3,(H,19,20,22)
InChIKeyFZVFJGBLOJSJER-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.88
Rot. Bonds1

About 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 155955810) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID155955810
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CC(C(=O)N2CCc3c(nc[nH]c3=O)C2)C1C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c1-14(2)5-9(11(14)15(16,17)18)13(23)21-4-3-8-10(6-21)19-7-20-12(8)22/h7,9,11H,3-6H2,1-2H3,(H,19,20,22)
InChIKeyFZVFJGBLOJSJER-UHFFFAOYSA-N
XLogP1.88
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 155955810) is 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1(C)CC(C(=O)N2CCc3c(nc[nH]c3=O)C2)C1C(F)(F)F.
What is the InChIKey of 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FZVFJGBLOJSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-14(2)5-9(11(14)15(16,17)18)13(23)21-4-3-8-10(6-21)19-7-20-12(8)22/h7,9,11H,3-6H2,1-2H3,(H,19,20,22).
What are the key properties of 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 329.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,3-dimethyl-2-(trifluoromethyl)cyclobutanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155955810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).