4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine

C8H9N3O — CID 91810228

IUPAC4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2c1ccn2C
InChIInChI=1S/C8H9N3O/c1-11-4-3-6-7(11)9-5-10-8(6)12-2/h3-5H,1-2H3
InChIKeyLSUKQOPKMMDFSG-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.98
Rot. Bonds1

About 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine

4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 91810228) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID91810228
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2c1ccn2C
InChIInChI=1S/C8H9N3O/c1-11-4-3-6-7(11)9-5-10-8(6)12-2/h3-5H,1-2H3
InChIKeyLSUKQOPKMMDFSG-UHFFFAOYSA-N
XLogP0.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine (CID 91810228) is 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine is COc1ncnc2c1ccn2C.
What is the InChIKey of 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is LSUKQOPKMMDFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-4-3-6-7(11)9-5-10-8(6)12-2/h3-5H,1-2H3.
What are the key properties of 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 163.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 91810228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).