6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C15H29N7O2 — CID 23872955

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CC2)n1
InChIInChI=1S/C15H29N7O2/c1-11(2)18-14-20-13(21-15(22-14)19-12-3-4-12)17-6-8-24-10-9-23-7-5-16/h11-12H,3-10,16H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyTWDQEUYWNZMLKO-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.67
Rot. Bonds13

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23872955) has the molecular formula C15H29N7O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID23872955
Molecular FormulaC15H29N7O2
Molecular Weight339.44 g/mol
Exact Mass339.24
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CC2)n1
InChIInChI=1S/C15H29N7O2/c1-11(2)18-14-20-13(21-15(22-14)19-12-3-4-12)17-6-8-24-10-9-23-7-5-16/h11-12H,3-10,16H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyTWDQEUYWNZMLKO-UHFFFAOYSA-N
XLogP0.67
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23816247
3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 23758189
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 23787672
2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 23844912
1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 23956611
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-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23928799
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
CID 23901103
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
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23873081
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]-4-[[[4-(cyclobutylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 23816148

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 23872955) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NCCOCCOCCN)nc(NC2CC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is TWDQEUYWNZMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N7O2/c1-11(2)18-14-20-13(21-15(22-14)19-12-3-4-12)17-6-8-24-10-9-23-7-5-16/h11-12H,3-10,16H2,1-2H3,(H3,17,18,19,20,21,22).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 339.44 g/mol, XLogP of 0.67, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23872955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).