6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine

C27H45N5O10 — CID 177461008

IUPAC6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOCCOCCOCCOCCOc1ccc(-c2nc(N)nc(N)n2)cc1OCCOCCOCCOCCOC
InChIInChI=1S/C27H45N5O10/c1-33-5-7-35-9-11-37-13-15-39-17-19-41-23-4-3-22(25-30-26(28)32-27(29)31-25)21-24(23)42-20-18-40-16-14-38-12-10-36-8-6-34-2/h3-4,21H,5-20H2,1-2H3,(H4,28,29,30,31,32)
InChIKeyGOZCNDUWXBALOR-UHFFFAOYSA-N
MW599.68 g/mol
LogP0.85
Rot. Bonds27

About 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine

6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 177461008) has the molecular formula C27H45N5O10 and a molecular weight of 599.68 g/mol. Its IUPAC name is 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID177461008
Molecular FormulaC27H45N5O10
Molecular Weight599.68 g/mol
Exact Mass599.32
IUPAC Name6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOCCOCCOCCOCCOc1ccc(-c2nc(N)nc(N)n2)cc1OCCOCCOCCOCCOC
InChIInChI=1S/C27H45N5O10/c1-33-5-7-35-9-11-37-13-15-39-17-19-41-23-4-3-22(25-30-26(28)32-27(29)31-25)21-24(23)42-20-18-40-16-14-38-12-10-36-8-6-34-2/h3-4,21H,5-20H2,1-2H3,(H4,28,29,30,31,32)
InChIKeyGOZCNDUWXBALOR-UHFFFAOYSA-N
XLogP0.85
TPSA183.01 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.68
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

6-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 102282602
2,3-bis[2-(2-methoxyethoxy)ethoxy]phenazine
CID 156904974
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999854
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpyridin-3-amine
CID 104559873
4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate
CID 146330939
2-[2-[[4-[3-[3,4-bis[2-(2-methoxyethoxy)ethoxy]phenyl]-5,8-dimethylquinoxalin-2-yl]-2-[2-(2-hydroxyethoxy)ethoxymethyl]phenyl]methoxy]ethoxy]ethanol
CID 123584233
2-(3-chloro-4-phenoxyphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 175809737

Frequently Asked Questions

What is the IUPAC name of 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine (CID 177461008) is 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine is COCCOCCOCCOCCOc1ccc(-c2nc(N)nc(N)n2)cc1OCCOCCOCCOCCOC.
What is the InChIKey of 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GOZCNDUWXBALOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N5O10/c1-33-5-7-35-9-11-37-13-15-39-17-19-41-23-4-3-22(25-30-26(28)32-27(29)31-25)21-24(23)42-20-18-40-16-14-38-12-10-36-8-6-34-2/h3-4,21H,5-20H2,1-2H3,(H4,28,29,30,31,32).
What are the key properties of 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine?
6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 599.68 g/mol, XLogP of 0.85, 27 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 177461008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).