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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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).