2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone

C10H10F3N3O — CID 162082270

IUPAC2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone
SMILESO=C(N1CC(Cc2ccncn2)C1)C(F)(F)F
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9(17)16-4-7(5-16)3-8-1-2-14-6-15-8/h1-2,6-7H,3-5H2
InChIKeySVFVAQAPEPGODV-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.04
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone (PubChem CID 162082270) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone
PubChem CID162082270
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone
SMILESO=C(N1CC(Cc2ccncn2)C1)C(F)(F)F
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9(17)16-4-7(5-16)3-8-1-2-14-6-15-8/h1-2,6-7H,3-5H2
InChIKeySVFVAQAPEPGODV-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-Isobutylpyrimidine
CID 565104
Tert-butyl 3-(2-chloropyrimidin-4-yl)azetidine-1-carboxylate
CID 118464538
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone
CID 73439360
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232
N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 56861804
4-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
CID 56862186
N-[(1-isobutyrylpiperidin-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862777
1-Tert-butyl-4-({methyl[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)pyrrolidin-2-one
CID 56874752

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone (CID 162082270) is 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone is O=C(N1CC(Cc2ccncn2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone?
The InChIKey is SVFVAQAPEPGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)9(17)16-4-7(5-16)3-8-1-2-14-6-15-8/h1-2,6-7H,3-5H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone has a molecular weight of 245.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 162082270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).