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

C12H21ClN4O2 — CID 114009389

IUPAC6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
SMILESCCCOc1nc(Cl)nc(NCCCCCCO)n1
InChIInChI=1S/C12H21ClN4O2/c1-2-9-19-12-16-10(13)15-11(17-12)14-7-5-3-4-6-8-18/h18H,2-9H2,1H3,(H,14,15,16,17)
InChIKeyUAXVNTCRRNVRDG-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.28
Rot. Bonds10

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

6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol (PubChem CID 114009389) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
PubChem CID114009389
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
SMILESCCCOc1nc(Cl)nc(NCCCCCCO)n1
InChIInChI=1S/C12H21ClN4O2/c1-2-9-19-12-16-10(13)15-11(17-12)14-7-5-3-4-6-8-18/h18H,2-9H2,1H3,(H,14,15,16,17)
InChIKeyUAXVNTCRRNVRDG-UHFFFAOYSA-N
XLogP2.28
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
4-chloro-N-pent-4-ynyl-6-propoxy-1,3,5-triazin-2-amine
CID 106223061
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 62862604
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol (CID 114009389) is 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol is CCCOc1nc(Cl)nc(NCCCCCCO)n1.
What is the InChIKey of 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The InChIKey is UAXVNTCRRNVRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-2-9-19-12-16-10(13)15-11(17-12)14-7-5-3-4-6-8-18/h18H,2-9H2,1H3,(H,14,15,16,17).
What are the key properties of 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol?
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol has a molecular weight of 288.78 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 114009389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).