6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine

C20H31N5 — CID 10450011

IUPAC6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H31N5/c21-18-23-17(24-19(25-18)22-16-4-2-1-3-5-16)12-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-16H,1-12H2,(H3,21,22,23,24,25)
InChIKeyWJWRZTHVSWVNDI-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.96
Rot. Bonds4

About 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine

6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 10450011) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID10450011
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H31N5/c21-18-23-17(24-19(25-18)22-16-4-2-1-3-5-16)12-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-16H,1-12H2,(H3,21,22,23,24,25)
InChIKeyWJWRZTHVSWVNDI-UHFFFAOYSA-N
XLogP3.96
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine 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-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (CID 10450011) is 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is Nc1nc(CC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCC2)n1.
What is the InChIKey of 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WJWRZTHVSWVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c21-18-23-17(24-19(25-18)22-16-4-2-1-3-5-16)12-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-16H,1-12H2,(H3,21,22,23,24,25).
What are the key properties of 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 341.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantylmethyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10450011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).