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

C9H9F3N2O3 — CID 90091822

IUPAC4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C(F)(F)F)nc(OC)c1C(=O)O
InChIInChI=1S/C9H9F3N2O3/c1-3-4-5(7(15)16)6(17-2)14-8(13-4)9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyJIKRSQCZVJMWPN-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.76
Rot. Bonds3

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

4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 90091822) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID90091822
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C(F)(F)F)nc(OC)c1C(=O)O
InChIInChI=1S/C9H9F3N2O3/c1-3-4-5(7(15)16)6(17-2)14-8(13-4)9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyJIKRSQCZVJMWPN-UHFFFAOYSA-N
XLogP1.76
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 90091822) is 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is CCc1nc(C(F)(F)F)nc(OC)c1C(=O)O.
What is the InChIKey of 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is JIKRSQCZVJMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-3-4-5(7(15)16)6(17-2)14-8(13-4)9(10,11)12/h3H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 250.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 90091822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).