6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C13H22ClN5 — CID 14668395

IUPAC6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-19(4-2)13-17-11(14)16-12(18-13)15-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyURZZXHYNUYKDKF-UHFFFAOYSA-N
MW283.81 g/mol
LogP3.12
Rot. Bonds5

About 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 14668395) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID14668395
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-19(4-2)13-17-11(14)16-12(18-13)15-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyURZZXHYNUYKDKF-UHFFFAOYSA-N
XLogP3.12
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-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-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 14668395) is 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NC2CCCCC2)n1.
What is the InChIKey of 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is URZZXHYNUYKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-3-19(4-2)13-17-11(14)16-12(18-13)15-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 283.81 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14668395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).