4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C10H9F3N4O2 — CID 58282667

IUPAC4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4O2/c1-18-7-5-8(19-2)15-9(14-7)17-4-3-6(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyXHMPOMUMJHPSLG-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.70
Rot. Bonds3

About 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 58282667) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID58282667
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4O2/c1-18-7-5-8(19-2)15-9(14-7)17-4-3-6(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyXHMPOMUMJHPSLG-UHFFFAOYSA-N
XLogP1.70
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-2-(1-propyl-1H-pyrazol-5-yl)pyrimidine
CID 121511647
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine
CID 129624417
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 131948607
4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
CID 164638283
2-Amino-4-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056711
2-Iodo-6-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056712
5-Fluoro-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidin-4-amine
CID 57818559
6-Chloro-4-methoxy-2-(3-trifluoromethyl-pyrazol-1-yl)-pyrimidine
CID 58282711
4-Methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 59533461
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoro-4-methylpyrimidine
CID 118311848
N-(4,4-difluorocyclohexyl)-4-methoxy-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine
CID 132206704
N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethoxy)pyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132207294

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 58282667) is 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is COc1cc(OC)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is XHMPOMUMJHPSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-18-7-5-8(19-2)15-9(14-7)17-4-3-6(16-17)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 274.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 58282667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).