4-(trifluoromethyl)pyrimidine-5-carboximidamide

C6H5F3N4 — CID 83677962

IUPAC4-(trifluoromethyl)pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1C(F)(F)F
InChIInChI=1S/C6H5F3N4/c7-6(8,9)4-3(5(10)11)1-12-2-13-4/h1-2H,(H3,10,11)
InChIKeyRPSNNRGNCZTLFV-UHFFFAOYSA-N
MW190.13 g/mol
LogP0.78
Rot. Bonds1

About 4-(trifluoromethyl)pyrimidine-5-carboximidamide

4-(trifluoromethyl)pyrimidine-5-carboximidamide (PubChem CID 83677962) has the molecular formula C6H5F3N4 and a molecular weight of 190.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrimidine-5-carboximidamide
PubChem CID83677962
Molecular FormulaC6H5F3N4
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC Name4-(trifluoromethyl)pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1C(F)(F)F
InChIInChI=1S/C6H5F3N4/c7-6(8,9)4-3(5(10)11)1-12-2-13-4/h1-2H,(H3,10,11)
InChIKeyRPSNNRGNCZTLFV-UHFFFAOYSA-N
XLogP0.78
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrimidine-5-carboximidamide?
The IUPAC name of 4-(trifluoromethyl)pyrimidine-5-carboximidamide (CID 83677962) is 4-(trifluoromethyl)pyrimidine-5-carboximidamide.
What is the SMILES notation for 4-(trifluoromethyl)pyrimidine-5-carboximidamide?
The canonical SMILES for 4-(trifluoromethyl)pyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncnc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)pyrimidine-5-carboximidamide?
The InChIKey is RPSNNRGNCZTLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4/c7-6(8,9)4-3(5(10)11)1-12-2-13-4/h1-2H,(H3,10,11).
What are the key properties of 4-(trifluoromethyl)pyrimidine-5-carboximidamide?
4-(trifluoromethyl)pyrimidine-5-carboximidamide has a molecular weight of 190.13 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrimidine-5-carboximidamide is sourced from PubChem (CID 83677962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).