4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile

C18H22N6 — CID 134147121

IUPAC4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H22N6/c19-13-16-22-17(20-12-11-14-7-3-1-4-8-14)24-18(23-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-12H2,(H2,20,21,22,23,24)
InChIKeyFKWDMIPLXKTQTC-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.14
Rot. Bonds6

About 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile

4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile (PubChem CID 134147121) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile
PubChem CID134147121
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H22N6/c19-13-16-22-17(20-12-11-14-7-3-1-4-8-14)24-18(23-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-12H2,(H2,20,21,22,23,24)
InChIKeyFKWDMIPLXKTQTC-UHFFFAOYSA-N
XLogP3.14
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile 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-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile (CID 134147121) is 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile is N#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is FKWDMIPLXKTQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c19-13-16-22-17(20-12-11-14-7-3-1-4-8-14)24-18(23-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-12H2,(H2,20,21,22,23,24).
What are the key properties of 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile?
4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 322.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 134147121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).