2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine

C9H10F3N3 — CID 166469741

IUPAC2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESCN1CC(c2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C9H10F3N3/c1-15-4-6(5-15)8-13-2-7(3-14-8)9(10,11)12/h2-3,6H,4-5H2,1H3
InChIKeyRBCBYJQPJBJWNT-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.52
Rot. Bonds1

About 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine

2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 166469741) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID166469741
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESCN1CC(c2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C9H10F3N3/c1-15-4-6(5-15)8-13-2-7(3-14-8)9(10,11)12/h2-3,6H,4-5H2,1H3
InChIKeyRBCBYJQPJBJWNT-UHFFFAOYSA-N
XLogP1.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
Aminomethylpyrimidine
CID 6946837
5-(Trifluoromethyl)pyrimidine
CID 15273573
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672
2,4-Difluoro-5-methylpyrimidine
CID 336950
2,5-Dimethylpyrimidine
CID 535856
5-Methylpyrimidine-2-carbonitrile
CID 20795181
2-Fluoro-5-methylpyrimidine
CID 23268885
5-(Trifluoromethyl)pyrimidin-2-amine
CID 15273574
2-Fluoro-5-(trifluoromethyl)pyrimidine
CID 20071885
5-(Bromomethyl)-2-(trifluoromethyl)pyrimidine
CID 23080920

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine (CID 166469741) is 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine is CN1CC(c2ncc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is RBCBYJQPJBJWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-15-4-6(5-15)8-13-2-7(3-14-8)9(10,11)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine?
2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 166469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).