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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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).