4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C10H9F3N4O — CID 59533461

IUPAC4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4O/c1-6-5-8(18-2)15-9(14-6)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyKKSUKHCCSHHVPC-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.00
Rot. Bonds2

About 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 59533461) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID59533461
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4O/c1-6-5-8(18-2)15-9(14-6)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyKKSUKHCCSHHVPC-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 59533461) is 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is COc1cc(C)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is KKSUKHCCSHHVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-5-8(18-2)15-9(14-6)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 258.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 59533461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).