2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

C13H24N6O2 — CID 80802003

IUPAC2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESCCNc1nc(NCCOCCO)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-2-14-11-16-12(15-5-9-21-10-8-20)18-13(17-11)19-6-3-4-7-19/h20H,2-10H2,1H3,(H2,14,15,16,17,18)
InChIKeyLZDYTPKHTNIBPK-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.32
Rot. Bonds9

About 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (PubChem CID 80802003) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
PubChem CID80802003
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESCCNc1nc(NCCOCCO)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-2-14-11-16-12(15-5-9-21-10-8-20)18-13(17-11)19-6-3-4-7-19/h20H,2-10H2,1H3,(H2,14,15,16,17,18)
InChIKeyLZDYTPKHTNIBPK-UHFFFAOYSA-N
XLogP0.32
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol with MolForge

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Related Compounds

2-N-(2-ethoxyethyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775050
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790722
N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80775624
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (CID 80802003) is 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is CCNc1nc(NCCOCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The InChIKey is LZDYTPKHTNIBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-2-14-11-16-12(15-5-9-21-10-8-20)18-13(17-11)19-6-3-4-7-19/h20H,2-10H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol has a molecular weight of 296.38 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 80802003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).