4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

C8H7F3N2O3 — CID 82389313

IUPAC4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1nc(C)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-3-12-5(8(9,10)11)4(7(14)15)6(13-3)16-2/h1-2H3,(H,14,15)
InChIKeyVVMTYQHLDNKSBN-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.51
Rot. Bonds2

About 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 82389313) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID82389313
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1nc(C)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-3-12-5(8(9,10)11)4(7(14)15)6(13-3)16-2/h1-2H3,(H,14,15)
InChIKeyVVMTYQHLDNKSBN-UHFFFAOYSA-N
XLogP1.51
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 14222966
4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid
CID 45588336
4-Ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 90091822
4-Methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 82392288
4-Ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 150000717
2,4-Dimethoxy-6-methylpyrimidine-5-carboxylic acid
CID 13798482
2-Chloro-4-methoxy-6-methyl-pyrimidine-5-carboxylic acid methyl ester
CID 57531430
4-Methoxy-2,6-dimethylpyrimidine-5-carboxamide
CID 57781800
4-Methoxy-6-methylpyrimidine-5-carboxylic acid
CID 82413435
Ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 123833123
Methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate
CID 142395235
Ethyl 4-methoxy-2,6-dimethylpyrimidine-5-carboxylate
CID 151266109

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 82389313) is 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is COc1nc(C)nc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is VVMTYQHLDNKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-3-12-5(8(9,10)11)4(7(14)15)6(13-3)16-2/h1-2H3,(H,14,15).
What are the key properties of 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82389313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).