4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide

C11H17N3O3 — CID 63892960

IUPAC4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide
SMILESCCn1ccc(=O)n(CCCC(=O)NC)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-13-8-6-10(16)14(11(13)17)7-4-5-9(15)12-2/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyPZXPDKWHIITQDZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.44
Rot. Bonds5

About 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide

4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 63892960) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID63892960
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide
SMILESCCn1ccc(=O)n(CCCC(=O)NC)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-13-8-6-10(16)14(11(13)17)7-4-5-9(15)12-2/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyPZXPDKWHIITQDZ-UHFFFAOYSA-N
XLogP-0.44
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide (CID 63892960) is 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide is CCn1ccc(=O)n(CCCC(=O)NC)c1=O.
What is the InChIKey of 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is PZXPDKWHIITQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-13-8-6-10(16)14(11(13)17)7-4-5-9(15)12-2/h6,8H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide?
4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 239.27 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 63892960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).