N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide

C15H24FN5O — CID 15477555

IUPACN-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide
SMILESCC(Nc1nc(NC=O)nc(C(C)(C)F)n1)C1CCCCC1
InChIInChI=1S/C15H24FN5O/c1-10(11-7-5-4-6-8-11)18-14-20-12(15(2,3)16)19-13(21-14)17-9-22/h9-11H,4-8H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyOIMJGXKFBDFVAQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.03
Rot. Bonds6

About N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide

N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide (PubChem CID 15477555) has the molecular formula C15H24FN5O and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide
PubChem CID15477555
Molecular FormulaC15H24FN5O
Molecular Weight309.39 g/mol
Exact Mass309.20
IUPAC NameN-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide
SMILESCC(Nc1nc(NC=O)nc(C(C)(C)F)n1)C1CCCCC1
InChIInChI=1S/C15H24FN5O/c1-10(11-7-5-4-6-8-11)18-14-20-12(15(2,3)16)19-13(21-14)17-9-22/h9-11H,4-8H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyOIMJGXKFBDFVAQ-UHFFFAOYSA-N
XLogP3.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide 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-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide?
The IUPAC name of N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide (CID 15477555) is N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide.
What is the SMILES notation for N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide?
The canonical SMILES for N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide is CC(Nc1nc(NC=O)nc(C(C)(C)F)n1)C1CCCCC1.
What is the InChIKey of N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide?
The InChIKey is OIMJGXKFBDFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O/c1-10(11-7-5-4-6-8-11)18-14-20-12(15(2,3)16)19-13(21-14)17-9-22/h9-11H,4-8H2,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide?
N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide has a molecular weight of 309.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide is sourced from PubChem (CID 15477555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).