6-methylpyrrolo[2,3-d]pyrimidin-4-one

C7H5N3O — CID 126843022

IUPAC6-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=NC2=NC=NC(=O)C2=C1
InChIInChI=1S/C7H5N3O/c1-4-2-5-6(10-4)8-3-9-7(5)11/h2-3H,1H3
InChIKeyIJOYGTNHRUXVMA-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.35
Rot. Bonds

About 6-methylpyrrolo[2,3-d]pyrimidin-4-one

6-methylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 126843022) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 6-methylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID126843022
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name6-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=NC2=NC=NC(=O)C2=C1
InChIInChI=1S/C7H5N3O/c1-4-2-5-6(10-4)8-3-9-7(5)11/h2-3H,1H3
InChIKeyIJOYGTNHRUXVMA-UHFFFAOYSA-N
XLogP0.35
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methylpyrrolo[2,3-d]pyrimidin-4-one (CID 126843022) is 6-methylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methylpyrrolo[2,3-d]pyrimidin-4-one is CC1=NC2=NC=NC(=O)C2=C1.
What is the InChIKey of 6-methylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is IJOYGTNHRUXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-4-2-5-6(10-4)8-3-9-7(5)11/h2-3H,1H3.
What are the key properties of 6-methylpyrrolo[2,3-d]pyrimidin-4-one?
6-methylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 147.14 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126843022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).