2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C17H23N7 — CID 171509547

IUPAC2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCc1c(C)[nH]c2ccc(CNc3nc(NC)nc(NC)n3)cc12
InChIInChI=1S/C17H23N7/c1-5-12-10(2)21-14-7-6-11(8-13(12)14)9-20-17-23-15(18-3)22-16(19-4)24-17/h6-8,21H,5,9H2,1-4H3,(H3,18,19,20,22,23,24)
InChIKeyUWUCFWNZERTPDA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.92
Rot. Bonds6

About 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine

2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 171509547) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID171509547
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCc1c(C)[nH]c2ccc(CNc3nc(NC)nc(NC)n3)cc12
InChIInChI=1S/C17H23N7/c1-5-12-10(2)21-14-7-6-11(8-13(12)14)9-20-17-23-15(18-3)22-16(19-4)24-17/h6-8,21H,5,9H2,1-4H3,(H3,18,19,20,22,23,24)
InChIKeyUWUCFWNZERTPDA-UHFFFAOYSA-N
XLogP2.92
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 171509547) is 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CCc1c(C)[nH]c2ccc(CNc3nc(NC)nc(NC)n3)cc12.
What is the InChIKey of 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UWUCFWNZERTPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-5-12-10(2)21-14-7-6-11(8-13(12)14)9-20-17-23-15(18-3)22-16(19-4)24-17/h6-8,21H,5,9H2,1-4H3,(H3,18,19,20,22,23,24).
What are the key properties of 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 325.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 171509547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).