2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C15H20N4O3 — CID 18140238

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O
InChIInChI=1S/C15H20N4O3/c1-5-17(8-11(3)4)13(20)10-19-14(21)12(7-16)9-18(6-2)15(19)22/h9H,3,5-6,8,10H2,1-2,4H3
InChIKeyMPYQCERGFRPMKN-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.33
Rot. Bonds6

About 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 18140238) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID18140238
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O
InChIInChI=1S/C15H20N4O3/c1-5-17(8-11(3)4)13(20)10-19-14(21)12(7-16)9-18(6-2)15(19)22/h9H,3,5-6,8,10H2,1-2,4H3
InChIKeyMPYQCERGFRPMKN-UHFFFAOYSA-N
XLogP0.33
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 18140238) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=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-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is MPYQCERGFRPMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-5-17(8-11(3)4)13(20)10-19-14(21)12(7-16)9-18(6-2)15(19)22/h9H,3,5-6,8,10H2,1-2,4H3.
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 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-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 18140238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).