4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

C10H10F3N3O2 — CID 167916802

IUPAC4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-2-1-3-16(7)9(18)6-4-8(17)15-5-14-6/h4-5,7H,1-3H2,(H,14,15,17)/t7-/m0/s1
InChIKeyPAOLXDDRAUQXSP-ZETCQYMHSA-N
MW261.20 g/mol
LogP0.94
Rot. Bonds1

About 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 167916802) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID167916802
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-2-1-3-16(7)9(18)6-4-8(17)15-5-14-6/h4-5,7H,1-3H2,(H,14,15,17)/t7-/m0/s1
InChIKeyPAOLXDDRAUQXSP-ZETCQYMHSA-N
XLogP0.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (CID 167916802) is 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]cn1)N1CCC[C@H]1C(F)(F)F.
What is the InChIKey of 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is PAOLXDDRAUQXSP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)7-2-1-3-16(7)9(18)6-4-8(17)15-5-14-6/h4-5,7H,1-3H2,(H,14,15,17)/t7-/m0/s1.
What are the key properties of 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 261.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 167916802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).