N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C9H10F3N3O2 — CID 140802867

IUPACN-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-17-3-2-14-8(16)6-4-13-5-15-7(6)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,16)
InChIKeyKMGHACUBSJSXKK-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.87
Rot. Bonds4

About N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 140802867) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID140802867
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-17-3-2-14-8(16)6-4-13-5-15-7(6)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,16)
InChIKeyKMGHACUBSJSXKK-UHFFFAOYSA-N
XLogP0.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide 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 N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 140802867) is N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is COCCNC(=O)c1cncnc1C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is KMGHACUBSJSXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-17-3-2-14-8(16)6-4-13-5-15-7(6)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 140802867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).