6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 114174672

IUPAC6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)(CC)CC)n1
InChIInChI=1S/C11H21N5O/c1-5-11(4,6-2)16-9-13-8(12)14-10(15-9)17-7-3/h5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyQTNOKVUFKUNQKB-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.84
Rot. Bonds6

About 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 114174672) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID114174672
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)(CC)CC)n1
InChIInChI=1S/C11H21N5O/c1-5-11(4,6-2)16-9-13-8(12)14-10(15-9)17-7-3/h5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyQTNOKVUFKUNQKB-UHFFFAOYSA-N
XLogP1.84
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethoxy-2-N-(3-methylpentan-3-yl)-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-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150044
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 114133403
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine (CID 114174672) is 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NC(C)(CC)CC)n1.
What is the InChIKey of 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QTNOKVUFKUNQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-11(4,6-2)16-9-13-8(12)14-10(15-9)17-7-3/h5-7H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114174672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).