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

C14H27N5O2 — CID 107855312

IUPAC6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCCCNc1nc(NCCCCCCO)nc(OCC)n1
InChIInChI=1S/C14H27N5O2/c1-3-9-15-12-17-13(19-14(18-12)21-4-2)16-10-7-5-6-8-11-20/h20H,3-11H2,1-2H3,(H2,15,16,17,18,19)
InChIKeySZPCKOUNMKIVAL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.06
Rot. Bonds12

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

6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol (PubChem CID 107855312) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
PubChem CID107855312
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCCCNc1nc(NCCCCCCO)nc(OCC)n1
InChIInChI=1S/C14H27N5O2/c1-3-9-15-12-17-13(19-14(18-12)21-4-2)16-10-7-5-6-8-11-20/h20H,3-11H2,1-2H3,(H2,15,16,17,18,19)
InChIKeySZPCKOUNMKIVAL-UHFFFAOYSA-N
XLogP2.06
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
6-[[4-(5-carboxypentylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino]hexanoic acid
CID 19427575
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80780311
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702

Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol (CID 107855312) is 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol is CCCNc1nc(NCCCCCCO)nc(OCC)n1.
What is the InChIKey of 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The InChIKey is SZPCKOUNMKIVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-3-9-15-12-17-13(19-14(18-12)21-4-2)16-10-7-5-6-8-11-20/h20H,3-11H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 2.06, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol is sourced from PubChem (CID 107855312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).