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

C19H29N5 — CID 10449137

IUPAC6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCCCC2)nc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H29N5/c20-17-22-16(23-18(24-17)21-15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15H,1-11H2,(H3,20,21,22,23,24)
InChIKeyRPYSTRJWJBYVSB-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.67
Rot. Bonds3

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

6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 10449137) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID10449137
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCCCC2)nc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H29N5/c20-17-22-16(23-18(24-17)21-15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15H,1-11H2,(H3,20,21,22,23,24)
InChIKeyRPYSTRJWJBYVSB-UHFFFAOYSA-N
XLogP3.67
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1-adamantyl)-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-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (CID 10449137) is 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is Nc1nc(NC2CCCCC2)nc(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RPYSTRJWJBYVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c20-17-22-16(23-18(24-17)21-15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15H,1-11H2,(H3,20,21,22,23,24).
What are the key properties of 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 327.48 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).