6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

C6H11N5O — CID 693795

IUPAC6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC)n1
InChIInChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKeyHEMSJLNVJJUYEU-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.11
Rot. Bonds3

About 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 693795) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID693795
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC)n1
InChIInChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKeyHEMSJLNVJJUYEU-UHFFFAOYSA-N
XLogP-0.11
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 693795) is 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NC)n1.
What is the InChIKey of 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HEMSJLNVJJUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11).
What are the key properties of 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 169.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 693795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).