2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide

C12H14N4O3 — CID 36992089

IUPAC2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O
InChIInChI=1S/C12H14N4O3/c1-2-14-10(17)7-16-11(18)8(5-13)6-15(12(16)19)9-3-4-9/h6,9H,2-4,7H2,1H3,(H,14,17)
InChIKeyQYCXHTWTPZBGIK-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.65
Rot. Bonds4

About 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide (PubChem CID 36992089) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide
PubChem CID36992089
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O
InChIInChI=1S/C12H14N4O3/c1-2-14-10(17)7-16-11(18)8(5-13)6-15(12(16)19)9-3-4-9/h6,9H,2-4,7H2,1H3,(H,14,17)
InChIKeyQYCXHTWTPZBGIK-UHFFFAOYSA-N
XLogP-0.65
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55597146
1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
CID 38670791
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 38671249
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
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
CID 36992531
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 38672304
ethyl 4-(2-chlorophenyl)-2-[[2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 38670882
1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
CID 36992731
N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide
CID 55753590
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 43058195
3-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 30873363

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide (CID 36992089) is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O.
What is the InChIKey of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide?
The InChIKey is QYCXHTWTPZBGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-2-14-10(17)7-16-11(18)8(5-13)6-15(12(16)19)9-3-4-9/h6,9H,2-4,7H2,1H3,(H,14,17).
What are the key properties of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide?
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide has a molecular weight of 262.27 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 36992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).