7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione

C19H21FN6O2 — CID 177374181

IUPAC7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCF)n(C)c1=O
InChIInChI=1S/C19H21FN6O2/c1-24-16-15(17(27)25(2)19(24)28)26(10-8-20)18(23-16)21-9-7-12-11-22-14-6-4-3-5-13(12)14/h3-6,11,22H,7-10H2,1-2H3,(H,21,23)
InChIKeyLZVXUOOUOUQGPQ-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.54
Rot. Bonds6

About 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione

7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione (PubChem CID 177374181) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione
PubChem CID177374181
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCF)n(C)c1=O
InChIInChI=1S/C19H21FN6O2/c1-24-16-15(17(27)25(2)19(24)28)26(10-8-20)18(23-16)21-9-7-12-11-22-14-6-4-3-5-13(12)14/h3-6,11,22H,7-10H2,1-2H3,(H,21,23)
InChIKeyLZVXUOOUOUQGPQ-UHFFFAOYSA-N
XLogP1.54
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

1-(cyclohexylmethyl)-8-[2-(1H-indol-3-yl)ethylamino]-3,7-dimethylpurine-2,6-dione
CID 177374171
1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 937090
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
6-bromo-2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 67159276
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
CID 20941602
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
4-[2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]ethyl]benzenesulfonamide
CID 4874759
8-bromo-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 23799247
1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
CID 46337577
7-[(2,4-difluorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
CID 166527765

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione (CID 177374181) is 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCF)n(C)c1=O.
What is the InChIKey of 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione?
The InChIKey is LZVXUOOUOUQGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-24-16-15(17(27)25(2)19(24)28)26(10-8-20)18(23-16)21-9-7-12-11-22-14-6-4-3-5-13(12)14/h3-6,11,22H,7-10H2,1-2H3,(H,21,23).
What are the key properties of 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione?
7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione has a molecular weight of 384.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 177374181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).