4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

C9H16N4O4 — CID 113427586

IUPAC4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCOCCOc1nc(N)nc(OC)n1
InChIInChI=1S/C9H16N4O4/c1-14-3-4-16-5-6-17-9-12-7(10)11-8(13-9)15-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyKDMPEFSFBYYQLL-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.50
Rot. Bonds8

About 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (PubChem CID 113427586) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
PubChem CID113427586
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCOCCOc1nc(N)nc(OC)n1
InChIInChI=1S/C9H16N4O4/c1-14-3-4-16-5-6-17-9-12-7(10)11-8(13-9)15-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyKDMPEFSFBYYQLL-UHFFFAOYSA-N
XLogP-0.50
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazin-2-amine
CID 104568131
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol
CID 80859663
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504
4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
CID 80859204
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine
CID 117061557
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870
2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 116798022
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
4-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3,5-triazin-2-amine
CID 80870804
4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
CID 106451498
4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
CID 80878300

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (CID 113427586) is 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is COCCOCCOc1nc(N)nc(OC)n1.
What is the InChIKey of 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is KDMPEFSFBYYQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-14-3-4-16-5-6-17-9-12-7(10)11-8(13-9)15-2/h3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 244.25 g/mol, XLogP of -0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 113427586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).