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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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).