6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C13H23N5O2 — CID 80814333

IUPAC6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCCOC2)nc(OCC)n1
InChIInChI=1S/C13H23N5O2/c1-3-14-11-16-12(18-13(17-11)20-4-2)15-8-10-6-5-7-19-9-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBPOZVUJVEKCHRB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.54
Rot. Bonds7

About 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80814333) 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-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80814333
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCCOC2)nc(OCC)n1
InChIInChI=1S/C13H23N5O2/c1-3-14-11-16-12(18-13(17-11)20-4-2)15-8-10-6-5-7-19-9-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBPOZVUJVEKCHRB-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138385
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N,2-N,6-N-triethyl-4-N-(oxolan-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80804461
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782108
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818729
6-ethoxy-4-N-ethyl-2-N-(1-methylpiperidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 80798193
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
4-chloro-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823322

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80814333) is 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC2CCCOC2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BPOZVUJVEKCHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-14-11-16-12(18-13(17-11)20-4-2)15-8-10-6-5-7-19-9-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 1.54, 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-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80814333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).