6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine

C12H23N5O3 — CID 15677

IUPAC6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(NCCCOC)nc(OC)n1
InChIInChI=1S/C12H23N5O3/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyFWJLFUVWQAXWLE-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.78
Rot. Bonds11

About 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15677) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
PubChem CID15677
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(NCCCOC)nc(OC)n1
InChIInChI=1S/C12H23N5O3/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyFWJLFUVWQAXWLE-UHFFFAOYSA-N
XLogP0.78
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine (CID 15677) is 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine is COCCCNc1nc(NCCCOC)nc(OC)n1.
What is the InChIKey of 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FWJLFUVWQAXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 0.78, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).