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

C13H25N5O2 — CID 106138247

IUPAC5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCOc1nc(NCC)nc(NCCCC(C)O)n1
InChIInChI=1S/C13H25N5O2/c1-4-9-20-13-17-11(14-5-2)16-12(18-13)15-8-6-7-10(3)19/h10,19H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyLQGXAQWEEBGKFT-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds10

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

5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol (PubChem CID 106138247) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
PubChem CID106138247
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCOc1nc(NCC)nc(NCCCC(C)O)n1
InChIInChI=1S/C13H25N5O2/c1-4-9-20-13-17-11(14-5-2)16-12(18-13)15-8-6-7-10(3)19/h10,19H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyLQGXAQWEEBGKFT-UHFFFAOYSA-N
XLogP1.67
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835670
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 83180143
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 80775822
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol (CID 106138247) is 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol is CCCOc1nc(NCC)nc(NCCCC(C)O)n1.
What is the InChIKey of 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The InChIKey is LQGXAQWEEBGKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-9-20-13-17-11(14-5-2)16-12(18-13)15-8-6-7-10(3)19/h10,19H,4-9H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol has a molecular weight of 283.38 g/mol, XLogP of 1.67, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol is sourced from PubChem (CID 106138247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).