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

C15H29N7O4 — CID 23758189

IUPAC3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESNCCOCCOCCNc1nc(NCC(O)CO)nc(NC2CC2)n1
InChIInChI=1S/C15H29N7O4/c16-3-5-25-7-8-26-6-4-17-13-20-14(18-9-12(24)10-23)22-15(21-13)19-11-1-2-11/h11-12,23-24H,1-10,16H2,(H3,17,18,19,20,21,22)
InChIKeyIMJJJMGQOVISPV-UHFFFAOYSA-N
MW371.44 g/mol
LogP-1.39
Rot. Bonds15

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

3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (PubChem CID 23758189) has the molecular formula C15H29N7O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
PubChem CID23758189
Molecular FormulaC15H29N7O4
Molecular Weight371.44 g/mol
Exact Mass371.23
IUPAC Name3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESNCCOCCOCCNc1nc(NCC(O)CO)nc(NC2CC2)n1
InChIInChI=1S/C15H29N7O4/c16-3-5-25-7-8-26-6-4-17-13-20-14(18-9-12(24)10-23)22-15(21-13)19-11-1-2-11/h11-12,23-24H,1-10,16H2,(H3,17,18,19,20,21,22)
InChIKeyIMJJJMGQOVISPV-UHFFFAOYSA-N
XLogP-1.39
TPSA159.70 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500371.44
LogP ≤ 5-1.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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
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
2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 23844912
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-cycloheptyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 23787672
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
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
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
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
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4-(cyclohexylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23787429

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (CID 23758189) is 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is NCCOCCOCCNc1nc(NCC(O)CO)nc(NC2CC2)n1.
What is the InChIKey of 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The InChIKey is IMJJJMGQOVISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N7O4/c16-3-5-25-7-8-26-6-4-17-13-20-14(18-9-12(24)10-23)22-15(21-13)19-11-1-2-11/h11-12,23-24H,1-10,16H2,(H3,17,18,19,20,21,22).
What are the key properties of 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol has a molecular weight of 371.44 g/mol, XLogP of -1.39, 15 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 23758189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).