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

C10H11N3O — CID 7747984

IUPAC2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
SMILESCc1nc2c(c(=O)n1CC#N)CCC2
InChIInChI=1S/C10H11N3O/c1-7-12-9-4-2-3-8(9)10(14)13(7)6-5-11/h2-4,6H2,1H3
InChIKeyAANODGFULXYBIF-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.56
Rot. Bonds1

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

2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile (PubChem CID 7747984) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
PubChem CID7747984
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
SMILESCc1nc2c(c(=O)n1CC#N)CCC2
InChIInChI=1S/C10H11N3O/c1-7-12-9-4-2-3-8(9)10(14)13(7)6-5-11/h2-4,6H2,1H3
InChIKeyAANODGFULXYBIF-UHFFFAOYSA-N
XLogP0.56
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.56
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
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3,5,6,7,8-hexahydro-
CID 13183095
1,2,3,5,6,7,8,9-Octahydro-3a,10-diaza-cyclohepta[f]inden-4-one
CID 13183096
2,3,5,6,7,8,9,10-Octahydro-1H-cycloocta[d]pyrrolo[1,2-a]pyrimidin-11-one
CID 13183097
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
10-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081392
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081393
12-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081394
1,8-Diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
CID 13911957
1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 23274016

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile (CID 7747984) is 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile is Cc1nc2c(c(=O)n1CC#N)CCC2.
What is the InChIKey of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
The InChIKey is AANODGFULXYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-12-9-4-2-3-8(9)10(14)13(7)6-5-11/h2-4,6H2,1H3.
What are the key properties of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile?
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile is sourced from PubChem (CID 7747984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).