6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C16H25N3O3 — CID 58164556

IUPAC6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=Nc2c(c(=O)n(CCCC[C@@H](C)OC)c(=O)n2C)C1
InChIInChI=1S/C16H25N3O3/c1-5-12-10-13-14(17-12)18(3)16(21)19(15(13)20)9-7-6-8-11(2)22-4/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWECFHDXKCFPXKA-LLVKDONJSA-N
MW307.39 g/mol
LogP1.79
Rot. Bonds7

About 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 58164556) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID58164556
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=Nc2c(c(=O)n(CCCC[C@@H](C)OC)c(=O)n2C)C1
InChIInChI=1S/C16H25N3O3/c1-5-12-10-13-14(17-12)18(3)16(21)19(15(13)20)9-7-6-8-11(2)22-4/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWECFHDXKCFPXKA-LLVKDONJSA-N
XLogP1.79
TPSA65.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 58164556) is 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is CCC1=Nc2c(c(=O)n(CCCC[C@@H](C)OC)c(=O)n2C)C1.
What is the InChIKey of 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WECFHDXKCFPXKA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-12-10-13-14(17-12)18(3)16(21)19(15(13)20)9-7-6-8-11(2)22-4/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 307.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(5R)-5-methoxyhexyl]-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 58164556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).