1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one

C10H10F3N3O — CID 22162106

IUPAC1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-14-4-3-7(15-9)6-16-5-1-2-8(16)17/h3-4H,1-2,5-6H2
InChIKeyXVSMCGDZZKKUBI-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.62
Rot. Bonds2

About 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one

1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 22162106) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID22162106
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-14-4-3-7(15-9)6-16-5-1-2-8(16)17/h3-4H,1-2,5-6H2
InChIKeyXVSMCGDZZKKUBI-UHFFFAOYSA-N
XLogP1.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one (CID 22162106) is 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is XVSMCGDZZKKUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)9-14-4-3-7(15-9)6-16-5-1-2-8(16)17/h3-4H,1-2,5-6H2.
What are the key properties of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one?
1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 22162106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).