5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine

C15H21N3O2 — CID 123399905

IUPAC5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine
SMILESCCc1cn(CCOC2CCCCO2)c2ncncc12
InChIInChI=1S/C15H21N3O2/c1-2-12-10-18(15-13(12)9-16-11-17-15)6-8-20-14-5-3-4-7-19-14/h9-11,14H,2-8H2,1H3
InChIKeyJQEACTWYPBXWMD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds5

About 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine

5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 123399905) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine
PubChem CID123399905
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine
SMILESCCc1cn(CCOC2CCCCO2)c2ncncc12
InChIInChI=1S/C15H21N3O2/c1-2-12-10-18(15-13(12)9-16-11-17-15)6-8-20-14-5-3-4-7-19-14/h9-11,14H,2-8H2,1H3
InChIKeyJQEACTWYPBXWMD-UHFFFAOYSA-N
XLogP2.54
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
5-iodo-7-[(2S)-1-[(2R)-oxan-2-yl]oxypropan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 124640504
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129411763
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 70817519
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
(5-bromo-3-pyridinyl)-[7-[1-(oxan-2-yloxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 70817567

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine (CID 123399905) is 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine is CCc1cn(CCOC2CCCCO2)c2ncncc12.
What is the InChIKey of 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is JQEACTWYPBXWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-12-10-18(15-13(12)9-16-11-17-15)6-8-20-14-5-3-4-7-19-14/h9-11,14H,2-8H2,1H3.
What are the key properties of 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine?
5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 275.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 123399905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).