1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile

C14H16N4O3 — CID 38670791

IUPAC1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H16N4O3/c15-7-10-8-17(11-3-4-11)14(21)18(13(10)20)9-12(19)16-5-1-2-6-16/h8,11H,1-6,9H2
InChIKeyCZIQVAGELULAQH-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.16
Rot. Bonds3

About 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile

1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile (PubChem CID 38670791) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
PubChem CID38670791
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H16N4O3/c15-7-10-8-17(11-3-4-11)14(21)18(13(10)20)9-12(19)16-5-1-2-6-16/h8,11H,1-6,9H2
InChIKeyCZIQVAGELULAQH-UHFFFAOYSA-N
XLogP-0.16
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 30873363
1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 38671582
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 38672078
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 51077179
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 38671249
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 38672304
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 43058195
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
CID 36992531
3-[2-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 25332957
5-amino-1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 63800611
N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide
CID 55753590
1-cyclopropyl-3-[3-(4-fluorophenyl)sulfonylpropyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 47504693

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile (CID 38670791) is 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile is N#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
The InChIKey is CZIQVAGELULAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-7-10-8-17(11-3-4-11)14(21)18(13(10)20)9-12(19)16-5-1-2-6-16/h8,11H,1-6,9H2.
What are the key properties of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 38670791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).