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

C9H9Cl2N3O2 — CID 14116873

IUPAC2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
SMILESOCCOCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H9Cl2N3O2/c10-7-6-1-2-14(5-16-4-3-15)8(6)13-9(11)12-7/h1-2,15H,3-5H2
InChIKeyMMIJIINEZUGJNS-UHFFFAOYSA-N
MW262.10 g/mol
LogP1.70
Rot. Bonds4

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

2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol (PubChem CID 14116873) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
PubChem CID14116873
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
SMILESOCCOCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H9Cl2N3O2/c10-7-6-1-2-14(5-16-4-3-15)8(6)13-9(11)12-7/h1-2,15H,3-5H2
InChIKeyMMIJIINEZUGJNS-UHFFFAOYSA-N
XLogP1.70
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
The IUPAC name of 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol (CID 14116873) is 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
The canonical SMILES for 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol is OCCOCn1ccc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
The InChIKey is MMIJIINEZUGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c10-7-6-1-2-14(5-16-4-3-15)8(6)13-9(11)12-7/h1-2,15H,3-5H2.
What are the key properties of 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol?
2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol has a molecular weight of 262.10 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol is sourced from PubChem (CID 14116873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).