N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide

C11H15N3O4 — CID 71811194

IUPACN-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide
SMILESCCOc1c(/C=N/C(C)=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H15N3O4/c1-5-18-10-8(6-12-7(2)15)9(16)13(3)11(17)14(10)4/h6H,5H2,1-4H3/b12-6+
InChIKeyQWONQMGMTIKOOE-WUXMJOGZSA-N
MW253.26 g/mol
LogP-0.55
Rot. Bonds3

About N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide

N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide (PubChem CID 71811194) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide.

Molecular Properties

Compound NameN-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide
PubChem CID71811194
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide
SMILESCCOc1c(/C=N/C(C)=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H15N3O4/c1-5-18-10-8(6-12-7(2)15)9(16)13(3)11(17)14(10)4/h6H,5H2,1-4H3/b12-6+
InChIKeyQWONQMGMTIKOOE-WUXMJOGZSA-N
XLogP-0.55
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide?
The IUPAC name of N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide (CID 71811194) is N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide.
What is the SMILES notation for N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide?
The canonical SMILES for N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide is CCOc1c(/C=N/C(C)=O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide?
The InChIKey is QWONQMGMTIKOOE-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-5-18-10-8(6-12-7(2)15)9(16)13(3)11(17)14(10)4/h6H,5H2,1-4H3/b12-6+.
What are the key properties of N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide?
N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide has a molecular weight of 253.26 g/mol, XLogP of -0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide is sourced from PubChem (CID 71811194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).