6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

C19H26ClN5O3 — CID 59302716

IUPAC6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(CNc2nc(Cl)nc(NC3CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C19H26ClN5O3/c1-26-14-9-12(10-15(27-2)16(14)28-3)11-21-18-23-17(20)24-19(25-18)22-13-7-5-4-6-8-13/h9-10,13H,4-8,11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyQXBUGEWMDKRUFR-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.91
Rot. Bonds8

About 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 59302716) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID59302716
Molecular FormulaC19H26ClN5O3
Molecular Weight407.90 g/mol
Exact Mass407.17
IUPAC Name6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(CNc2nc(Cl)nc(NC3CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C19H26ClN5O3/c1-26-14-9-12(10-15(27-2)16(14)28-3)11-21-18-23-17(20)24-19(25-18)22-13-7-5-4-6-8-13/h9-10,13H,4-8,11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyQXBUGEWMDKRUFR-UHFFFAOYSA-N
XLogP3.91
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-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-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 59302716) is 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is COc1cc(CNc2nc(Cl)nc(NC3CCCCC3)n2)cc(OC)c1OC.
What is the InChIKey of 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QXBUGEWMDKRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O3/c1-26-14-9-12(10-15(27-2)16(14)28-3)11-21-18-23-17(20)24-19(25-18)22-13-7-5-4-6-8-13/h9-10,13H,4-8,11H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 407.90 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59302716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).