4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine

C12H23N5O3 — CID 59874965

IUPAC4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1nc(C)nc(N(C)C(C)OC)n1
InChIInChI=1S/C12H23N5O3/c1-9-13-11(16(3)10(2)20-6)15-12(14-9)17(7-18-4)8-19-5/h10H,7-8H2,1-6H3
InChIKeyPYOMHBKSOIDENT-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.62
Rot. Bonds8

About 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine

4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 59874965) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID59874965
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1nc(C)nc(N(C)C(C)OC)n1
InChIInChI=1S/C12H23N5O3/c1-9-13-11(16(3)10(2)20-6)15-12(14-9)17(7-18-4)8-19-5/h10H,7-8H2,1-6H3
InChIKeyPYOMHBKSOIDENT-UHFFFAOYSA-N
XLogP0.62
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 59874965) is 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine is COCN(COC)c1nc(C)nc(N(C)C(C)OC)n1.
What is the InChIKey of 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PYOMHBKSOIDENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-9-13-11(16(3)10(2)20-6)15-12(14-9)17(7-18-4)8-19-5/h10H,7-8H2,1-6H3.
What are the key properties of 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 0.62, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxyethyl)-2-N,2-N-bis(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59874965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).