4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine

C7H6ClN3O — CID 88536051

IUPAC4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H6ClN3O/c1-12-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyQWNNWVKMTXLTGR-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.62
Rot. Bonds1

About 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 88536051) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID88536051
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H6ClN3O/c1-12-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyQWNNWVKMTXLTGR-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine (CID 88536051) is 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine is COc1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QWNNWVKMTXLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-12-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 183.60 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 88536051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).