2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C16H31N7O3 — CID 23844912

IUPAC2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(NCCOCCOCCN)nc(NC2CC2)n1
InChIInChI=1S/C16H31N7O3/c1-16(2,11-24)23-15-21-13(20-14(22-15)19-12-3-4-12)18-6-8-26-10-9-25-7-5-17/h12,24H,3-11,17H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyAKOJQBOXEUOYJM-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.03
Rot. Bonds14

About 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 23844912) has the molecular formula C16H31N7O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID23844912
Molecular FormulaC16H31N7O3
Molecular Weight369.47 g/mol
Exact Mass369.25
IUPAC Name2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(NCCOCCOCCN)nc(NC2CC2)n1
InChIInChI=1S/C16H31N7O3/c1-16(2,11-24)23-15-21-13(20-14(22-15)19-12-3-4-12)18-6-8-26-10-9-25-7-5-17/h12,24H,3-11,17H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyAKOJQBOXEUOYJM-UHFFFAOYSA-N
XLogP0.03
TPSA139.47 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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
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
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-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-(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
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-aminoethoxy)ethoxy]ethyl]-4-[[[4-(butylamino)-6-(cyclobutylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 23787287
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-(cyclohexylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23787429
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23787320

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 23844912) is 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(NCCOCCOCCN)nc(NC2CC2)n1.
What is the InChIKey of 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is AKOJQBOXEUOYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O3/c1-16(2,11-24)23-15-21-13(20-14(22-15)19-12-3-4-12)18-6-8-26-10-9-25-7-5-17/h12,24H,3-11,17H2,1-2H3,(H3,18,19,20,21,22,23).
What are the key properties of 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 369.47 g/mol, XLogP of 0.03, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 23844912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).