7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine

C13H13F3N6O2 — CID 170111887

IUPAC7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc2nc(COC(F)(F)F)cn2c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C13H13F3N6O2/c1-7-3-9(21-20-7)18-12-19-11(23-2)4-10-17-8(5-22(10)12)6-24-13(14,15)16/h3-5H,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyUNAFJFJJGCGXGN-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.55
Rot. Bonds5

About 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine

7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 170111887) has the molecular formula C13H13F3N6O2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID170111887
Molecular FormulaC13H13F3N6O2
Molecular Weight342.28 g/mol
Exact Mass342.11
IUPAC Name7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc2nc(COC(F)(F)F)cn2c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C13H13F3N6O2/c1-7-3-9(21-20-7)18-12-19-11(23-2)4-10-17-8(5-22(10)12)6-24-13(14,15)16/h3-5H,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyUNAFJFJJGCGXGN-UHFFFAOYSA-N
XLogP2.55
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 168751893
CID 168751893
CID 168752040
CID 168752040
CID 168752086
CID 168752086
CID 168752098
CID 168752098
CID 168752187
CID 168752187
CID 168752208
CID 168752208
CID 169142487
CID 169142487
CID 169860299
CID 169860299
CID 169861269
CID 169861269
CID 169861276
CID 169861276
CID 169862654
CID 169862654
CID 170109277
CID 170109277

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine (CID 170111887) is 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine is COc1cc2nc(COC(F)(F)F)cn2c(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is UNAFJFJJGCGXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6O2/c1-7-3-9(21-20-7)18-12-19-11(23-2)4-10-17-8(5-22(10)12)6-24-13(14,15)16/h3-5H,6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?
7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 342.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 170111887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).