4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine

C10H10F3N5O — CID 146143444

IUPAC4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(OCc2cnn(C)n2)n1
InChIInChI=1S/C10H10F3N5O/c1-6-3-8(10(11,12)13)16-9(15-6)19-5-7-4-14-18(2)17-7/h3-4H,5H2,1-2H3
InChIKeyTVXMBWKLDILOEX-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.51
Rot. Bonds3

About 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine (PubChem CID 146143444) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine
PubChem CID146143444
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(OCc2cnn(C)n2)n1
InChIInChI=1S/C10H10F3N5O/c1-6-3-8(10(11,12)13)16-9(15-6)19-5-7-4-14-18(2)17-7/h3-4H,5H2,1-2H3
InChIKeyTVXMBWKLDILOEX-UHFFFAOYSA-N
XLogP1.51
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine (CID 146143444) is 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(OCc2cnn(C)n2)n1.
What is the InChIKey of 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine?
The InChIKey is TVXMBWKLDILOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-6-3-8(10(11,12)13)16-9(15-6)19-5-7-4-14-18(2)17-7/h3-4H,5H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine has a molecular weight of 273.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 146143444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).