6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine

C11H17F4N5 — CID 175749545

IUPAC6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine
SMILESNC1(N)N=C(NF)NC(C2CCCCC2)=C1C(F)(F)F
InChIInChI=1S/C11H17F4N5/c12-10(13,14)8-7(6-4-2-1-3-5-6)18-9(20-15)19-11(8,16)17/h6H,1-5,16-17H2,(H2,18,19,20)
InChIKeyLRIFBDVGFPWMOK-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.39
Rot. Bonds1

About 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine

6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine (PubChem CID 175749545) has the molecular formula C11H17F4N5 and a molecular weight of 295.28 g/mol. Its IUPAC name is 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine.

Molecular Properties

Compound Name6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine
PubChem CID175749545
Molecular FormulaC11H17F4N5
Molecular Weight295.28 g/mol
Exact Mass295.14
IUPAC Name6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine
SMILESNC1(N)N=C(NF)NC(C2CCCCC2)=C1C(F)(F)F
InChIInChI=1S/C11H17F4N5/c12-10(13,14)8-7(6-4-2-1-3-5-6)18-9(20-15)19-11(8,16)17/h6H,1-5,16-17H2,(H2,18,19,20)
InChIKeyLRIFBDVGFPWMOK-UHFFFAOYSA-N
XLogP1.39
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine 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 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine?
The IUPAC name of 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine (CID 175749545) is 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine.
What is the SMILES notation for 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine?
The canonical SMILES for 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine is NC1(N)N=C(NF)NC(C2CCCCC2)=C1C(F)(F)F.
What is the InChIKey of 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine?
The InChIKey is LRIFBDVGFPWMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N5/c12-10(13,14)8-7(6-4-2-1-3-5-6)18-9(20-15)19-11(8,16)17/h6H,1-5,16-17H2,(H2,18,19,20).
What are the key properties of 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine?
6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine has a molecular weight of 295.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine is sourced from PubChem (CID 175749545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).