2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile

C8H7N3O — CID 39235676

IUPAC2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C8H7N3O/c9-4-7-5-2-1-3-6(5)10-8(12)11-7/h1-3H2,(H,10,11,12)
InChIKeyBRVGRLBESSQNJP-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.13
Rot. Bonds

About 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile

2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile (PubChem CID 39235676) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile
PubChem CID39235676
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C8H7N3O/c9-4-7-5-2-1-3-6(5)10-8(12)11-7/h1-3H2,(H,10,11,12)
InChIKeyBRVGRLBESSQNJP-UHFFFAOYSA-N
XLogP0.13
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
CID 23135139
4-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83846400
4-(aziridin-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 163611236
4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83858946
4-(cyclopropylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83863252
3-oxo-5,6,7,8-tetrahydro-4H-quinoxaline-2-carbonitrile
CID 14686422
4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83858969
3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
CID 83858971
3-methyl-2-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
CID 83858962
1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid
CID 83858991
4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83858997
4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 82087393

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile?
The IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile (CID 39235676) is 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile is N#Cc1nc(=O)[nH]c2c1CCC2.
What is the InChIKey of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile?
The InChIKey is BRVGRLBESSQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-4-7-5-2-1-3-6(5)10-8(12)11-7/h1-3H2,(H,10,11,12).
What are the key properties of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile?
2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile has a molecular weight of 161.16 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 39235676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).