4,7-dimethylpyrrolo[2,3-d]pyrimidine

C8H9N3 — CID 58526542

IUPAC4,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2c1ccn2C
InChIInChI=1S/C8H9N3/c1-6-7-3-4-11(2)8(7)10-5-9-6/h3-5H,1-2H3
InChIKeyNWRYAKOOXOQPFE-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.28
Rot. Bonds

About 4,7-dimethylpyrrolo[2,3-d]pyrimidine

4,7-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 58526542) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4,7-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID58526542
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2c1ccn2C
InChIInChI=1S/C8H9N3/c1-6-7-3-4-11(2)8(7)10-5-9-6/h3-5H,1-2H3
InChIKeyNWRYAKOOXOQPFE-UHFFFAOYSA-N
XLogP1.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4,7-dimethylpyrrolo[2,3-d]pyrimidine (CID 58526542) is 4,7-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4,7-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4,7-dimethylpyrrolo[2,3-d]pyrimidine is Cc1ncnc2c1ccn2C.
What is the InChIKey of 4,7-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is NWRYAKOOXOQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-7-3-4-11(2)8(7)10-5-9-6/h3-5H,1-2H3.
What are the key properties of 4,7-dimethylpyrrolo[2,3-d]pyrimidine?
4,7-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 147.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58526542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).