2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine

C10H9F3N4O — CID 7018567

IUPAC2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4O/c1-17-5-6(4-14-17)7-3-8(10(11,12)13)16-9(15-7)18-2/h3-5H,1-2H3
InChIKeyOTPATIFHNQHYFR-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.90
Rot. Bonds2

About 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine

2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 7018567) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID7018567
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4O/c1-17-5-6(4-14-17)7-3-8(10(11,12)13)16-9(15-7)18-2/h3-5H,1-2H3
InChIKeyOTPATIFHNQHYFR-UHFFFAOYSA-N
XLogP1.90
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
Dyrk1-IN-1
CID 138454302
4-methyl-2-(4-phenyl-1H-1,2,3-triazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 1487790
4-(4-fluorophenyl)-2-(1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 6621349
4-(4-fluorophenyl)-6-phenyl-2-(1H-pyrazol-1-yl)pyrimidine
CID 879111
4-(pyrazolo[1,5-b]pyridazin-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 10286242
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
2-[(2S)-2-methylazetidin-1-yl]-4-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidine
CID 155385390
US11124500, Example 13
CID 155385391
4-[1-(azetidin-3-yl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155385428
N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 46996104
4-(1H-pyrazol-4-yl)pyrimidine
CID 5073229

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine (CID 7018567) is 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine is COc1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is OTPATIFHNQHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-17-5-6(4-14-17)7-3-8(10(11,12)13)16-9(15-7)18-2/h3-5H,1-2H3.
What are the key properties of 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 258.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 7018567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).