2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one

C12H12F3N3O2 — CID 138035552

IUPAC2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC1C(F)(F)F
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-4-18(8)11(20)7-5-9(19)17-10(16-7)6-1-2-6/h5-6,8H,1-4H2,(H,16,17,19)
InChIKeyWTXIJBOGEYABAV-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.42
Rot. Bonds2

About 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 138035552) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID138035552
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC1C(F)(F)F
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-4-18(8)11(20)7-5-9(19)17-10(16-7)6-1-2-6/h5-6,8H,1-4H2,(H,16,17,19)
InChIKeyWTXIJBOGEYABAV-UHFFFAOYSA-N
XLogP1.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one (CID 138035552) is 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is WTXIJBOGEYABAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-4-18(8)11(20)7-5-9(19)17-10(16-7)6-1-2-6/h5-6,8H,1-4H2,(H,16,17,19).
What are the key properties of 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 287.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138035552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).