2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile

C9H9N3O — CID 130744034

IUPAC2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
SMILESN#CCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H9N3O/c10-4-5-12-6-11-8-3-1-2-7(8)9(12)13/h6H,1-3,5H2
InChIKeyJBEWCLNEIKFBQD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.26
Rot. Bonds1

About 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile

2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile (PubChem CID 130744034) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
PubChem CID130744034
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
SMILESN#CCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H9N3O/c10-4-5-12-6-11-8-3-1-2-7(8)9(12)13/h6H,1-3,5H2
InChIKeyJBEWCLNEIKFBQD-UHFFFAOYSA-N
XLogP0.26
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno
CID 523979
3H-Pyrimidin-4-one, 2,3-tetramethyleno-5,6-trimethyleno
CID 523980
Pyrido-pyrimidinone analog (rings=565)
CID 523977
3-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)propanamide
CID 132306525
3-Hexyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 139239521
3-(2-Methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 139239522
trifluoro-[(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]boranuide
CID 133676857
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 7747984
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 7748343
2-chloro-3-cyclohexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 52427310
3-Butyl-6-methyl-5-octylpyrimidin-4-one
CID 53350165
3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105228

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
The IUPAC name of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile (CID 130744034) is 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
The canonical SMILES for 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile is N#CCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
The InChIKey is JBEWCLNEIKFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-4-5-12-6-11-8-3-1-2-7(8)9(12)13/h6H,1-3,5H2.
What are the key properties of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile is sourced from PubChem (CID 130744034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).