[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide

C7H5F3N4O — CID 14280161

IUPAC[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide
SMILESCOc1cc(C(F)(F)F)nc(NC#N)n1
InChIInChI=1S/C7H5F3N4O/c1-15-5-2-4(7(8,9)10)13-6(14-5)12-3-11/h2H,1H3,(H,12,13,14)
InChIKeyZZJQPKKQDDCCAF-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.40
Rot. Bonds2

About [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide

[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide (PubChem CID 14280161) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide
PubChem CID14280161
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide
SMILESCOc1cc(C(F)(F)F)nc(NC#N)n1
InChIInChI=1S/C7H5F3N4O/c1-15-5-2-4(7(8,9)10)13-6(14-5)12-3-11/h2H,1H3,(H,12,13,14)
InChIKeyZZJQPKKQDDCCAF-UHFFFAOYSA-N
XLogP1.40
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide 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 [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide?
The IUPAC name of [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide (CID 14280161) is [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide?
The canonical SMILES for [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide is COc1cc(C(F)(F)F)nc(NC#N)n1.
What is the InChIKey of [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide?
The InChIKey is ZZJQPKKQDDCCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-15-5-2-4(7(8,9)10)13-6(14-5)12-3-11/h2H,1H3,(H,12,13,14).
What are the key properties of [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide?
[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide has a molecular weight of 218.14 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 14280161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).