N-ethyl-5-purin-7-yl-1H-indol-3-amine

C15H14N6 — CID 22411334

IUPACN-ethyl-5-purin-7-yl-1H-indol-3-amine
SMILESCCNc1c[nH]c2ccc(-n3cnc4ncncc43)cc12
InChIInChI=1S/C15H14N6/c1-2-17-13-6-18-12-4-3-10(5-11(12)13)21-9-20-15-14(21)7-16-8-19-15/h3-9,17-18H,2H2,1H3
InChIKeyAEFRIRYYXASUHB-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.73
Rot. Bonds3

About N-ethyl-5-purin-7-yl-1H-indol-3-amine

N-ethyl-5-purin-7-yl-1H-indol-3-amine (PubChem CID 22411334) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-ethyl-5-purin-7-yl-1H-indol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-purin-7-yl-1H-indol-3-amine
PubChem CID22411334
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC NameN-ethyl-5-purin-7-yl-1H-indol-3-amine
SMILESCCNc1c[nH]c2ccc(-n3cnc4ncncc43)cc12
InChIInChI=1S/C15H14N6/c1-2-17-13-6-18-12-4-3-10(5-11(12)13)21-9-20-15-14(21)7-16-8-19-15/h3-9,17-18H,2H2,1H3
InChIKeyAEFRIRYYXASUHB-UHFFFAOYSA-N
XLogP2.73
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-purin-7-yl-1H-indol-3-amine?
The IUPAC name of N-ethyl-5-purin-7-yl-1H-indol-3-amine (CID 22411334) is N-ethyl-5-purin-7-yl-1H-indol-3-amine.
What is the SMILES notation for N-ethyl-5-purin-7-yl-1H-indol-3-amine?
The canonical SMILES for N-ethyl-5-purin-7-yl-1H-indol-3-amine is CCNc1c[nH]c2ccc(-n3cnc4ncncc43)cc12.
What is the InChIKey of N-ethyl-5-purin-7-yl-1H-indol-3-amine?
The InChIKey is AEFRIRYYXASUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-2-17-13-6-18-12-4-3-10(5-11(12)13)21-9-20-15-14(21)7-16-8-19-15/h3-9,17-18H,2H2,1H3.
What are the key properties of N-ethyl-5-purin-7-yl-1H-indol-3-amine?
N-ethyl-5-purin-7-yl-1H-indol-3-amine has a molecular weight of 278.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-purin-7-yl-1H-indol-3-amine is sourced from PubChem (CID 22411334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).