(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide

C15H15N3O3 — CID 896029

IUPAC(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide
SMILESCn1c(NC(=O)/C=C/c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H15N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)/b9-8+
InChIKeyJWFOESGZVCHPIE-CMDGGOBGSA-N
MW285.30 g/mol
LogP0.74
Rot. Bonds3

About (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide

(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide (PubChem CID 896029) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide
PubChem CID896029
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide
SMILESCn1c(NC(=O)/C=C/c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H15N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)/b9-8+
InChIKeyJWFOESGZVCHPIE-CMDGGOBGSA-N
XLogP0.74
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 309844
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654
1-Benzyluracil
CID 237962
6-Amino-1-benzyluracil
CID 250746
6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025749
6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
CID 308653
6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025746
Stk169393
CID 319814
1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione
CID 678009

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide (CID 896029) is (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide is Cn1c(NC(=O)/C=C/c2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide?
The InChIKey is JWFOESGZVCHPIE-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)/b9-8+.
What are the key properties of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide?
(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide has a molecular weight of 285.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 896029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).