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

C7H5N3O — CID 71773243

IUPAC2-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=NC(=O)C2=CC=NC2=N1
InChIInChI=1S/C7H5N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3
InChIKeyQKHCPTQFCPJFMU-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.35
Rot. Bonds

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

2-methylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 71773243) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 2-methylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID71773243
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name2-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=NC(=O)C2=CC=NC2=N1
InChIInChI=1S/C7H5N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3
InChIKeyQKHCPTQFCPJFMU-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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Related Compounds

2-Amino-4H-pyrrolo(2,3-d)pyrimidin-4-one
CID 21904348
CID 22605274
CID 22605274
bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one
CID 134564413
Pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 144909195
2-Aminopyrrolo[2,3-d]pyrimidin-3-ium-4-one
CID 173013525
Hydron;pyrrolo[2,3-d]pyrimidin-4-one
CID 174548085
5-Methylpyrrolo[2,3-d]pyrimidin-4-one
CID 71777630
2-Methylsulfanylpyrrolo[2,3-d]pyrimidin-4-one
CID 96995635
2-Amino-5-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 124251193
2-Chloropyrrolo[2,3-d]pyrimidin-4-one
CID 124251541
6-Methylpyrrolo[2,3-d]pyrimidin-4-one
CID 126843022
5-amino-N-methylidene-2H-pyrrole-4-carboxamide
CID 158834192

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methylpyrrolo[2,3-d]pyrimidin-4-one (CID 71773243) is 2-methylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methylpyrrolo[2,3-d]pyrimidin-4-one is CC1=NC(=O)C2=CC=NC2=N1.
What is the InChIKey of 2-methylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is QKHCPTQFCPJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3.
What are the key properties of 2-methylpyrrolo[2,3-d]pyrimidin-4-one?
2-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 2-methylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71773243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).