2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C9H10F3N3O — CID 135406792

IUPAC2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(N2CCCC2)[nH]1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-5-7(16)14-8(13-6)15-3-1-2-4-15/h5H,1-4H2,(H,13,14,16)
InChIKeyPITGGTGEKTUCCR-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.39
Rot. Bonds1

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

2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135406792) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135406792
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(N2CCCC2)[nH]1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-5-7(16)14-8(13-6)15-3-1-2-4-15/h5H,1-4H2,(H,13,14,16)
InChIKeyPITGGTGEKTUCCR-UHFFFAOYSA-N
XLogP1.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135406792) is 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(N2CCCC2)[nH]1.
What is the InChIKey of 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is PITGGTGEKTUCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)6-5-7(16)14-8(13-6)15-3-1-2-4-15/h5H,1-4H2,(H,13,14,16).
What are the key properties of 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 233.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135406792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).