2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C8H7F3N2O — CID 135438221

IUPAC2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-3-6(14)13-7(12-5)4-1-2-4/h3-4H,1-2H2,(H,12,13,14)
InChIKeyOSBNGNDXBQUXMP-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.67
Rot. Bonds1

About 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135438221) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135438221
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-3-6(14)13-7(12-5)4-1-2-4/h3-4H,1-2H2,(H,12,13,14)
InChIKeyOSBNGNDXBQUXMP-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135438221) is 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is OSBNGNDXBQUXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)5-3-6(14)13-7(12-5)4-1-2-4/h3-4H,1-2H2,(H,12,13,14).
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 204.15 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135438221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).