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

C7H5N3O — CID 71777630

IUPAC5-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=C2C(=O)N=CN=C2N=C1
InChIInChI=1S/C7H5N3O/c1-4-2-8-6-5(4)7(11)10-3-9-6/h2-3H,1H3
InChIKeyNOFPTHVKTMIMAX-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.35
Rot. Bonds

About 5-methylpyrrolo[2,3-d]pyrimidin-4-one

5-methylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 71777630) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 5-methylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID71777630
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name5-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=C2C(=O)N=CN=C2N=C1
InChIInChI=1S/C7H5N3O/c1-4-2-8-6-5(4)7(11)10-3-9-6/h2-3H,1H3
InChIKeyNOFPTHVKTMIMAX-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 5-methylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methylpyrrolo[2,3-d]pyrimidin-4-one (CID 71777630) is 5-methylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methylpyrrolo[2,3-d]pyrimidin-4-one is CC1=C2C(=O)N=CN=C2N=C1.
What is the InChIKey of 5-methylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is NOFPTHVKTMIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-4-2-8-6-5(4)7(11)10-3-9-6/h2-3H,1H3.
What are the key properties of 5-methylpyrrolo[2,3-d]pyrimidin-4-one?
5-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 5-methylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71777630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).