4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine

C22H28N6O2 — CID 23928705

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H28N6O2/c23-11-13-29-15-16-30-14-12-24-21-26-20(19-9-5-2-6-10-19)27-22(28-21)25-17-18-7-3-1-4-8-18/h1-10H,11-17,23H2,(H2,24,25,26,27,28)
InChIKeyGGSFJHAFXXOQCJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.55
Rot. Bonds13

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 23928705) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID23928705
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H28N6O2/c23-11-13-29-15-16-30-14-12-24-21-26-20(19-9-5-2-6-10-19)27-22(28-21)25-17-18-7-3-1-4-8-18/h1-10H,11-17,23H2,(H2,24,25,26,27,28)
InChIKeyGGSFJHAFXXOQCJ-UHFFFAOYSA-N
XLogP2.55
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.55
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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 166630370
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
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(2-phenylethyl)-2-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 23787613
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 23787226
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-benzyl-2-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 23844770
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
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
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4,6-bis(benzylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23956545
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[[4-(2-phenylethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 23900750
N-[2-[2-[2-[[4-(benzylamino)-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23787472
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 23901092
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[[4-(2-phenylethylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 23787281

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine (CID 23928705) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GGSFJHAFXXOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c23-11-13-29-15-16-30-14-12-24-21-26-20(19-9-5-2-6-10-19)27-22(28-21)25-17-18-7-3-1-4-8-18/h1-10H,11-17,23H2,(H2,24,25,26,27,28).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 408.51 g/mol, XLogP of 2.55, 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-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23928705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).