pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C10H10F3N3O — CID 116572790

IUPACpyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1cncnc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9(1-2-14-5-9)8(17)7-3-15-6-16-4-7/h3-4,6,14H,1-2,5H2
InChIKeyQMZFTEALRHBCSU-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.20
Rot. Bonds2

About pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572790) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572790
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Namepyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1cncnc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9(1-2-14-5-9)8(17)7-3-15-6-16-4-7/h3-4,6,14H,1-2,5H2
InChIKeyQMZFTEALRHBCSU-UHFFFAOYSA-N
XLogP1.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572842
(3-propan-2-ylpyrrolidin-3-yl)-pyrimidin-5-ylmethanone
CID 106982102
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572851
N-[(1R)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81409905
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114669350
N-[(1R)-1-pyridin-3-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81404390
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
CID 116580427
N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65232052
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572885

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572790) is pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(c1cncnc1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is QMZFTEALRHBCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)9(1-2-14-5-9)8(17)7-3-15-6-16-4-7/h3-4,6,14H,1-2,5H2.
What are the key properties of pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 245.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).