6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C11H14F3N3O2 — CID 58431436

IUPAC6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-3-17(4-2)6-7-5-8(9(18)19)16-10(15-7)11(12,13)14/h5H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyZDWJEDPCJMMZMG-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.04
Rot. Bonds5

About 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 58431436) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID58431436
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-3-17(4-2)6-7-5-8(9(18)19)16-10(15-7)11(12,13)14/h5H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyZDWJEDPCJMMZMG-UHFFFAOYSA-N
XLogP2.04
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-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

Related Compounds

CID 10535213
CID 10535213
CID 10775652
CID 10775652
CID 17604765
CID 17604765
CID 19018488
CID 19018488
CID 34176371
CID 34176371
CID 62745365
CID 62745365
CID 121206417
CID 121206417
CID 129949688
CID 129949688
CID 137964234
CID 137964234
CID 246646
CID 246646
CID 60177850
CID 60177850
CID 58305503
CID 58305503

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 58431436) is 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is CCN(CC)Cc1cc(C(=O)O)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is ZDWJEDPCJMMZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-3-17(4-2)6-7-5-8(9(18)19)16-10(15-7)11(12,13)14/h5H,3-4,6H2,1-2H3,(H,18,19).
What are the key properties of 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58431436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).