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

C13H18N4O4 — CID 18140237

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NC(C)COC)c1=O
InChIInChI=1S/C13H18N4O4/c1-4-16-6-10(5-14)12(19)17(13(16)20)7-11(18)15-9(2)8-21-3/h6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyBPTOTNOOUSRGJW-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.95
Rot. Bonds6

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

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 18140237) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID18140237
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NC(C)COC)c1=O
InChIInChI=1S/C13H18N4O4/c1-4-16-6-10(5-14)12(19)17(13(16)20)7-11(18)15-9(2)8-21-3/h6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyBPTOTNOOUSRGJW-UHFFFAOYSA-N
XLogP-0.95
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 18140237) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is CCn1cc(C#N)c(=O)n(CC(=O)NC(C)COC)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is BPTOTNOOUSRGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-4-16-6-10(5-14)12(19)17(13(16)20)7-11(18)15-9(2)8-21-3/h6,9H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of -0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 18140237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).