(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide

C11H15N3O3 — CID 102204775

IUPAC(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O3/c1-12(2)9(15)6-5-8-7-13(3)11(17)14(4)10(8)16/h5-7H,1-4H3/b6-5+
InChIKeyAZCJEYQNGWAHIW-AATRIKPKSA-N
MW237.26 g/mol
LogP-0.81
Rot. Bonds2

About (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide (PubChem CID 102204775) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide
PubChem CID102204775
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O3/c1-12(2)9(15)6-5-8-7-13(3)11(17)14(4)10(8)16/h5-7H,1-4H3/b6-5+
InChIKeyAZCJEYQNGWAHIW-AATRIKPKSA-N
XLogP-0.81
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide (CID 102204775) is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is AZCJEYQNGWAHIW-AATRIKPKSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12(2)9(15)6-5-8-7-13(3)11(17)14(4)10(8)16/h5-7H,1-4H3/b6-5+.
What are the key properties of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide?
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 237.26 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 102204775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).