6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C13H23N5O2 — CID 80782108

IUPAC6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C2CCCO2)nc(OCC)n1
InChIInChI=1S/C13H23N5O2/c1-4-14-11-16-12(18-13(17-11)19-5-2)15-9(3)10-7-6-8-20-10/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyUPRLZESQPKCYMO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.68
Rot. Bonds7

About 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80782108) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80782108
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C2CCCO2)nc(OCC)n1
InChIInChI=1S/C13H23N5O2/c1-4-14-11-16-12(18-13(17-11)19-5-2)15-9(3)10-7-6-8-20-10/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyUPRLZESQPKCYMO-UHFFFAOYSA-N
XLogP1.68
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782030
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814333
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
CID 83178981
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80782031
6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
CID 164651622

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80782108) is 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C2CCCO2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UPRLZESQPKCYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-14-11-16-12(18-13(17-11)19-5-2)15-9(3)10-7-6-8-20-10/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80782108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).