cyclopenta[d]pyrimidin-4-one

C7H4N2O — CID 18919296

IUPACcyclopenta[d]pyrimidin-4-one
SMILESO=C1N=CN=C2C=CC=C12
InChIInChI=1S/C7H4N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h1-4H
InChIKeyXXOUUZSEPUTMMZ-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.49
Rot. Bonds

About cyclopenta[d]pyrimidin-4-one

cyclopenta[d]pyrimidin-4-one (PubChem CID 18919296) has the molecular formula C7H4N2O and a molecular weight of 132.12 g/mol. Its IUPAC name is cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Namecyclopenta[d]pyrimidin-4-one
PubChem CID18919296
Molecular FormulaC7H4N2O
Molecular Weight132.12 g/mol
Exact Mass132.03
IUPAC Namecyclopenta[d]pyrimidin-4-one
SMILESO=C1N=CN=C2C=CC=C12
InChIInChI=1S/C7H4N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h1-4H
InChIKeyXXOUUZSEPUTMMZ-UHFFFAOYSA-N
XLogP0.49
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[d]pyrimidin-4-one?
The IUPAC name of cyclopenta[d]pyrimidin-4-one (CID 18919296) is cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for cyclopenta[d]pyrimidin-4-one is O=C1N=CN=C2C=CC=C12.
What is the InChIKey of cyclopenta[d]pyrimidin-4-one?
The InChIKey is XXOUUZSEPUTMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h1-4H.
What are the key properties of cyclopenta[d]pyrimidin-4-one?
cyclopenta[d]pyrimidin-4-one has a molecular weight of 132.12 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 18919296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).