6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine

C15H30N6O6 — CID 70903216

IUPAC6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCC(OCN)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C15H30N6O6/c1-22-6-12(27-7-16)13-17-14(20(8-23-2)9-24-3)19-15(18-13)21(10-25-4)11-26-5/h12H,6-11,16H2,1-5H3
InChIKeyCCIRVDUKZXVOTF-UHFFFAOYSA-N
MW390.44 g/mol
LogP-0.48
Rot. Bonds15

About 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine

6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 70903216) has the molecular formula C15H30N6O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID70903216
Molecular FormulaC15H30N6O6
Molecular Weight390.44 g/mol
Exact Mass390.22
IUPAC Name6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCC(OCN)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C15H30N6O6/c1-22-6-12(27-7-16)13-17-14(20(8-23-2)9-24-3)19-15(18-13)21(10-25-4)11-26-5/h12H,6-11,16H2,1-5H3
InChIKeyCCIRVDUKZXVOTF-UHFFFAOYSA-N
XLogP-0.48
TPSA126.55 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine (CID 70903216) is 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine is COCC(OCN)c1nc(N(COC)COC)nc(N(COC)COC)n1.
What is the InChIKey of 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CCIRVDUKZXVOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O6/c1-22-6-12(27-7-16)13-17-14(20(8-23-2)9-24-3)19-15(18-13)21(10-25-4)11-26-5/h12H,6-11,16H2,1-5H3.
What are the key properties of 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 390.44 g/mol, XLogP of -0.48, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70903216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).