1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid

C10H9F3N2O3 — CID 82666289

IUPAC1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ncc(C2(C(=O)O)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O3/c1-18-8-14-4-5(6(15-8)10(11,12)13)9(2-3-9)7(16)17/h4H,2-3H2,1H3,(H,16,17)
InChIKeyDRWUQWAGHFCVSK-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.62
Rot. Bonds3

About 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid

1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82666289) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82666289
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ncc(C2(C(=O)O)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O3/c1-18-8-14-4-5(6(15-8)10(11,12)13)9(2-3-9)7(16)17/h4H,2-3H2,1H3,(H,16,17)
InChIKeyDRWUQWAGHFCVSK-UHFFFAOYSA-N
XLogP1.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid (CID 82666289) is 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid is COc1ncc(C2(C(=O)O)CC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is DRWUQWAGHFCVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-18-8-14-4-5(6(15-8)10(11,12)13)9(2-3-9)7(16)17/h4H,2-3H2,1H3,(H,16,17).
What are the key properties of 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid?
1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 262.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82666289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).