2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol

C11H20ClN5O2 — CID 106311585

IUPAC2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
SMILESCCCNc1nc(Cl)nc(NCCCOCCO)n1
InChIInChI=1S/C11H20ClN5O2/c1-2-4-13-10-15-9(12)16-11(17-10)14-5-3-7-19-8-6-18/h18H,2-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyFYLMPFWFMHJJGW-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.16
Rot. Bonds10

About 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol

2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol (PubChem CID 106311585) has the molecular formula C11H20ClN5O2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
PubChem CID106311585
Molecular FormulaC11H20ClN5O2
Molecular Weight289.77 g/mol
Exact Mass289.13
IUPAC Name2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
SMILESCCCNc1nc(Cl)nc(NCCCOCCO)n1
InChIInChI=1S/C11H20ClN5O2/c1-2-4-13-10-15-9(12)16-11(17-10)14-5-3-7-19-8-6-18/h18H,2-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyFYLMPFWFMHJJGW-UHFFFAOYSA-N
XLogP1.16
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol with MolForge

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Related Compounds

Mesoprazine
CID 3032414
1,3,5-Triazine, 2,4,6-tris(3-hydroxy)propylamino-
CID 18363797
2-{[4-(Dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}ethanol
CID 1772331
Methometon
CID 15677
N,N',N"-tris-(5-hydroxy-3-oxapentyl)-melamine
CID 15597650
6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 18906
2-Chloro-4-ethylamino-6-(1-hydroxy-2-methylethyl-2-amino)-1,3,5-triazine
CID 129848208
2-N,4-N-bis(3-propoxypropyl)-1,3,5-triazine-2,4,6-triamine
CID 235080
2-{[4-Methoxy-6-(propylamino)-1,3,5-triazin-2-YL]amino}ethanol
CID 3129758
2-[4-(Propylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy-1-ethanol
CID 12234401
3-[[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 7589455
2-Amino-4,6-bis(5-hydroxy-3-oxapentylamino)-1,3,5-triazine
CID 15597651

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol (CID 106311585) is 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol is CCCNc1nc(Cl)nc(NCCCOCCO)n1.
What is the InChIKey of 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
The InChIKey is FYLMPFWFMHJJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O2/c1-2-4-13-10-15-9(12)16-11(17-10)14-5-3-7-19-8-6-18/h18H,2-8H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol has a molecular weight of 289.77 g/mol, XLogP of 1.16, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol is sourced from PubChem (CID 106311585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).