6,7-dihydrocyclopenta[d]pyrimidin-4-one

C7H6N2O — CID 175965027

IUPAC6,7-dihydrocyclopenta[d]pyrimidin-4-one
SMILESO=C1N=CN=C2CCC=C12
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h2,4H,1,3H2
InChIKeySWAIJUVVKMYWJO-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.72
Rot. Bonds

About 6,7-dihydrocyclopenta[d]pyrimidin-4-one

6,7-dihydrocyclopenta[d]pyrimidin-4-one (PubChem CID 175965027) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 6,7-dihydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name6,7-dihydrocyclopenta[d]pyrimidin-4-one
PubChem CID175965027
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name6,7-dihydrocyclopenta[d]pyrimidin-4-one
SMILESO=C1N=CN=C2CCC=C12
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h2,4H,1,3H2
InChIKeySWAIJUVVKMYWJO-UHFFFAOYSA-N
XLogP0.72
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 6,7-dihydrocyclopenta[d]pyrimidin-4-one (CID 175965027) is 6,7-dihydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 6,7-dihydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 6,7-dihydrocyclopenta[d]pyrimidin-4-one is O=C1N=CN=C2CCC=C12.
What is the InChIKey of 6,7-dihydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is SWAIJUVVKMYWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h2,4H,1,3H2.
What are the key properties of 6,7-dihydrocyclopenta[d]pyrimidin-4-one?
6,7-dihydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 134.14 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 175965027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).