2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol

C10H13N3O3 — CID 3010389

IUPAC2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
SMILESCOc1ncnc2c1ccn2COCCO
InChIInChI=1S/C10H13N3O3/c1-15-10-8-2-3-13(7-16-5-4-14)9(8)11-6-12-10/h2-3,6,14H,4-5,7H2,1H3
InChIKeyMYXLXOVCSVHVDO-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.41
Rot. Bonds5

About 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol

2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol (PubChem CID 3010389) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
PubChem CID3010389
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
SMILESCOc1ncnc2c1ccn2COCCO
InChIInChI=1S/C10H13N3O3/c1-15-10-8-2-3-13(7-16-5-4-14)9(8)11-6-12-10/h2-3,6,14H,4-5,7H2,1H3
InChIKeyMYXLXOVCSVHVDO-UHFFFAOYSA-N
XLogP0.41
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
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 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
The IUPAC name of 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol (CID 3010389) is 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
The canonical SMILES for 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol is COc1ncnc2c1ccn2COCCO.
What is the InChIKey of 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
The InChIKey is MYXLXOVCSVHVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-10-8-2-3-13(7-16-5-4-14)9(8)11-6-12-10/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol has a molecular weight of 223.23 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol is sourced from PubChem (CID 3010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).