4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine

C22H33ClN6O2 — CID 23928724

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NCc2ccc(Cl)cc2)nc(C2CCCCC2)n1
InChIInChI=1S/C22H33ClN6O2/c23-19-8-6-17(7-9-19)16-26-22-28-20(18-4-2-1-3-5-18)27-21(29-22)25-11-13-31-15-14-30-12-10-24/h6-9,18H,1-5,10-16,24H2,(H2,25,26,27,28,29)
InChIKeyXGKLNFCGWWDMBK-UHFFFAOYSA-N
MW449.00 g/mol
LogP3.59
Rot. Bonds13

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 23928724) has the molecular formula C22H33ClN6O2 and a molecular weight of 449.00 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID23928724
Molecular FormulaC22H33ClN6O2
Molecular Weight449.00 g/mol
Exact Mass448.24
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NCc2ccc(Cl)cc2)nc(C2CCCCC2)n1
InChIInChI=1S/C22H33ClN6O2/c23-19-8-6-17(7-9-19)16-26-22-28-20(18-4-2-1-3-5-18)27-21(29-22)25-11-13-31-15-14-30-12-10-24/h6-9,18H,1-5,10-16,24H2,(H2,25,26,27,28,29)
InChIKeyXGKLNFCGWWDMBK-UHFFFAOYSA-N
XLogP3.59
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(4-chlorophenyl)methyl]-2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine
CID 23816348
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 23928705
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-bromophenyl)methyl]-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23984676
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[[4-(cyclobutylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 23816148
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 142808201
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 23787672
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(4-methylphenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 23984724
2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 23872862
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-fluorophenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 23787587
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[[4-(butylamino)-6-(cyclobutylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 23787287
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23872813
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 23845134

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine (CID 23928724) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NCc2ccc(Cl)cc2)nc(C2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XGKLNFCGWWDMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN6O2/c23-19-8-6-17(7-9-19)16-26-22-28-20(18-4-2-1-3-5-18)27-21(29-22)25-11-13-31-15-14-30-12-10-24/h6-9,18H,1-5,10-16,24H2,(H2,25,26,27,28,29).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 449.00 g/mol, XLogP of 3.59, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-chlorophenyl)methyl]-6-cyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23928724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).