6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C11H19N5O2 — CID 80795329

IUPAC6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2CCCO2)n1
InChIInChI=1S/C11H19N5O2/c1-3-17-11-14-9(12)13-10(15-11)16(2)7-8-5-4-6-18-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyBCGASETVKMIBPX-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.47
Rot. Bonds5

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

6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80795329) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80795329
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2CCCO2)n1
InChIInChI=1S/C11H19N5O2/c1-3-17-11-14-9(12)13-10(15-11)16(2)7-8-5-4-6-18-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyBCGASETVKMIBPX-UHFFFAOYSA-N
XLogP0.47
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80795329) is 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(C)CC2CCCO2)n1.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BCGASETVKMIBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-17-11-14-9(12)13-10(15-11)16(2)7-8-5-4-6-18-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80795329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).