2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide

C14H20N4O3 — CID 18140236

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O
InChIInChI=1S/C14H20N4O3/c1-4-6-10(3)16-12(19)9-18-13(20)11(7-15)8-17(5-2)14(18)21/h8,10H,4-6,9H2,1-3H3,(H,16,19)
InChIKeyXGGZFMDXOWZIKD-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.21
Rot. Bonds6

About 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide (PubChem CID 18140236) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide
PubChem CID18140236
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O
InChIInChI=1S/C14H20N4O3/c1-4-6-10(3)16-12(19)9-18-13(20)11(7-15)8-17(5-2)14(18)21/h8,10H,4-6,9H2,1-3H3,(H,16,19)
InChIKeyXGGZFMDXOWZIKD-UHFFFAOYSA-N
XLogP0.21
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654963
N-((1-ethylpyrrolidin-2-yl)methyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280809
1,3-Dimethyl-2,4-dioxo-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
CID 45803603
1,3-Dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
CID 56796800
N-(2-Aminoethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 4264356
N,N-Diethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide
CID 376200
1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56705900
4-[(2S)-2-ethyl-3-oxopiperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95973287
N-butan-2-yl-N-butyl-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 16231223
4-[2-[Di(propan-2-yl)amino]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 17564957
1-{3-[(3-Aminopropyl)(methyl)amino]propyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 57339167
(Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide
CID 21131417

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide (CID 18140236) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is XGGZFMDXOWZIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-6-10(3)16-12(19)9-18-13(20)11(7-15)8-17(5-2)14(18)21/h8,10H,4-6,9H2,1-3H3,(H,16,19).
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 292.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 18140236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).