2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

C21H33N7O3 — CID 23758298

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NCCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H33N7O3/c22-7-12-29-16-17-30-13-9-24-20-25-19(23-8-6-18-4-2-1-3-5-18)26-21(27-20)28-10-14-31-15-11-28/h1-5H,6-17,22H2,(H2,23,24,25,26,27)
InChIKeyNILREOBFRZWFHN-UHFFFAOYSA-N
MW431.54 g/mol
LogP0.77
Rot. Bonds14

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23758298) has the molecular formula C21H33N7O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID23758298
Molecular FormulaC21H33N7O3
Molecular Weight431.54 g/mol
Exact Mass431.26
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NCCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H33N7O3/c22-7-12-29-16-17-30-13-9-24-20-25-19(23-8-6-18-4-2-1-3-5-18)26-21(27-20)28-10-14-31-15-11-28/h1-5H,6-17,22H2,(H2,23,24,25,26,27)
InChIKeyNILREOBFRZWFHN-UHFFFAOYSA-N
XLogP0.77
TPSA119.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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-N-(2-phenylethyl)-2-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 23787613
N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 23816371
N-[2-[2-[2-[[4-[(2-fluorophenyl)methylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23984555
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-benzyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 23956485
2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
CID 23872858
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23787473
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 23928705
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
2-[[4-morpholin-4-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethyl benzoate
CID 110178173
N-[2-[2-[2-[[4-morpholin-4-yl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23787494
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 23758298) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NCCc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NILREOBFRZWFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O3/c22-7-12-29-16-17-30-13-9-24-20-25-19(23-8-6-18-4-2-1-3-5-18)26-21(27-20)28-10-14-31-15-11-28/h1-5H,6-17,22H2,(H2,23,24,25,26,27).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 431.54 g/mol, XLogP of 0.77, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).