2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine

C23H26N6O4 — CID 23536381

IUPAC2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCOc1ccc(Nc2ncnc(Nc3ccc4[nH]ccc4c3)n2)cc1OCCOC
InChIInChI=1S/C23H26N6O4/c1-30-9-11-32-20-6-4-18(14-21(20)33-12-10-31-2)28-23-26-15-25-22(29-23)27-17-3-5-19-16(13-17)7-8-24-19/h3-8,13-15,24H,9-12H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyGVCUUNYIBKMLAA-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.89
Rot. Bonds12

About 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine

2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536381) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID23536381
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCOc1ccc(Nc2ncnc(Nc3ccc4[nH]ccc4c3)n2)cc1OCCOC
InChIInChI=1S/C23H26N6O4/c1-30-9-11-32-20-6-4-18(14-21(20)33-12-10-31-2)28-23-26-15-25-22(29-23)27-17-3-5-19-16(13-17)7-8-24-19/h3-8,13-15,24H,9-12H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyGVCUUNYIBKMLAA-UHFFFAOYSA-N
XLogP3.89
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
CID 24865257
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
CID 23527673
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304
2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120984992
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031

Frequently Asked Questions

What is the IUPAC name of 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine (CID 23536381) is 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine is COCCOc1ccc(Nc2ncnc(Nc3ccc4[nH]ccc4c3)n2)cc1OCCOC.
What is the InChIKey of 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GVCUUNYIBKMLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-30-9-11-32-20-6-4-18(14-21(20)33-12-10-31-2)28-23-26-15-25-22(29-23)27-17-3-5-19-16(13-17)7-8-24-19/h3-8,13-15,24H,9-12H2,1-2H3,(H2,25,26,27,28,29).
What are the key properties of 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine?
2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 450.50 g/mol, XLogP of 3.89, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).