2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine

C17H23FN8O — CID 89297543

IUPAC2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine
SMILESNC(N)=Nc1nc(NCC2CCCCC2)nc(Nc2ccc(O)c(F)c2)n1
InChIInChI=1S/C17H23FN8O/c18-12-8-11(6-7-13(12)27)22-16-24-15(25-17(26-16)23-14(19)20)21-9-10-4-2-1-3-5-10/h6-8,10,27H,1-5,9H2,(H6,19,20,21,22,23,24,25,26)
InChIKeyPXFBJTQJTXCVQR-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine

2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine (PubChem CID 89297543) has the molecular formula C17H23FN8O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine
PubChem CID89297543
Molecular FormulaC17H23FN8O
Molecular Weight374.42 g/mol
Exact Mass374.20
IUPAC Name2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine
SMILESNC(N)=Nc1nc(NCC2CCCCC2)nc(Nc2ccc(O)c(F)c2)n1
InChIInChI=1S/C17H23FN8O/c18-12-8-11(6-7-13(12)27)22-16-24-15(25-17(26-16)23-14(19)20)21-9-10-4-2-1-3-5-10/h6-8,10,27H,1-5,9H2,(H6,19,20,21,22,23,24,25,26)
InChIKeyPXFBJTQJTXCVQR-UHFFFAOYSA-N
XLogP2.36
TPSA147.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine 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 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine?
The IUPAC name of 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine (CID 89297543) is 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine.
What is the SMILES notation for 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine?
The canonical SMILES for 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine is NC(N)=Nc1nc(NCC2CCCCC2)nc(Nc2ccc(O)c(F)c2)n1.
What is the InChIKey of 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine?
The InChIKey is PXFBJTQJTXCVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN8O/c18-12-8-11(6-7-13(12)27)22-16-24-15(25-17(26-16)23-14(19)20)21-9-10-4-2-1-3-5-10/h6-8,10,27H,1-5,9H2,(H6,19,20,21,22,23,24,25,26).
What are the key properties of 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine?
2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine has a molecular weight of 374.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethylamino)-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]guanidine is sourced from PubChem (CID 89297543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).