3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide

C11H13F3N4O2 — CID 138028282

IUPAC3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCOC1(C(F)(F)F)CN(C(=O)Nc2ccnc(C)n2)C1
InChIInChI=1S/C11H13F3N4O2/c1-7-15-4-3-8(16-7)17-9(19)18-5-10(6-18,20-2)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16,17,19)
InChIKeyZDCQIRWKTCPOEX-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.58
Rot. Bonds2

About 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide

3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 138028282) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID138028282
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCOC1(C(F)(F)F)CN(C(=O)Nc2ccnc(C)n2)C1
InChIInChI=1S/C11H13F3N4O2/c1-7-15-4-3-8(16-7)17-9(19)18-5-10(6-18,20-2)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16,17,19)
InChIKeyZDCQIRWKTCPOEX-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-N-pyrimidin-4-yl-1,4-oxazepane-4-carboxamide
CID 99840604
1-(2,2-Difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea
CID 100650944
1-[4-(Dimethylamino)pyrimidin-2-yl]-3-(2,2,3,3-tetrafluoropropyl)urea
CID 121590738
3-cyano-N-(2-methoxypyrimidin-4-yl)-3-methylazetidine-1-carboxamide
CID 132375269
N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide
CID 87968216
3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide
CID 91180844
N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 144655664
2,2,2-Trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone
CID 161474158
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-[2-(trifluoromethoxy)ethyl]urea
CID 176650265
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63827550
2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
CID 64830083
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
CID 80845855

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide (CID 138028282) is 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide is COC1(C(F)(F)F)CN(C(=O)Nc2ccnc(C)n2)C1.
What is the InChIKey of 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is ZDCQIRWKTCPOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-7-15-4-3-8(16-7)17-9(19)18-5-10(6-18,20-2)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16,17,19).
What are the key properties of 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide?
3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 138028282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).