4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol

C12H23N5O2 — CID 106846977

IUPAC4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCNc1nc(NCCCCO)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-4-13-10-15-11(14-7-5-6-8-18)17-12(16-10)19-9(2)3/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyOKFRALMGLULOJS-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.27
Rot. Bonds9

About 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol

4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 106846977) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID106846977
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCNc1nc(NCCCCO)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-4-13-10-15-11(14-7-5-6-8-18)17-12(16-10)19-9(2)3/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyOKFRALMGLULOJS-UHFFFAOYSA-N
XLogP1.27
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
4-N-ethyl-6-propan-2-yloxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803986
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83145978
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
CID 80938206
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 106846977) is 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol is CCNc1nc(NCCCCO)nc(OC(C)C)n1.
What is the InChIKey of 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is OKFRALMGLULOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-13-10-15-11(14-7-5-6-8-18)17-12(16-10)19-9(2)3/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 106846977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).