1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile

C19H20N4O3 — CID 38671582

IUPAC1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1cc(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c(C)n1C1CC1
InChIInChI=1S/C19H20N4O3/c1-11-7-16(12(2)23(11)15-5-6-15)17(24)10-22-18(25)13(8-20)9-21(19(22)26)14-3-4-14/h7,9,14-15H,3-6,10H2,1-2H3
InChIKeyDDIZHIRIQZTQIS-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.85
Rot. Bonds5

About 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile

1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 38671582) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID38671582
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1cc(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c(C)n1C1CC1
InChIInChI=1S/C19H20N4O3/c1-11-7-16(12(2)23(11)15-5-6-15)17(24)10-22-18(25)13(8-20)9-21(19(22)26)14-3-4-14/h7,9,14-15H,3-6,10H2,1-2H3
InChIKeyDDIZHIRIQZTQIS-UHFFFAOYSA-N
XLogP1.85
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile with MolForge

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Related Compounds

3-[2-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 25332957
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide
CID 36992089
1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
CID 38670791
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 38672078
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 38671249
2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]benzonitrile
CID 110654524
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 38672304
5,6-dichloro-2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880241
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-methylbutan-1-one
CID 82493930
4-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]benzonitrile
CID 110654526
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55597146
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318178

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 38671582) is 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile is Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is DDIZHIRIQZTQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-7-16(12(2)23(11)15-5-6-15)17(24)10-22-18(25)13(8-20)9-21(19(22)26)14-3-4-14/h7,9,14-15H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 352.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 38671582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).