[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C16H17N3O6 — CID 7852354

IUPAC[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCCn1c(N)c(C(=O)COC(=O)/C=C/c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O6/c1-2-7-19-14(17)13(15(22)18-16(19)23)11(20)9-25-12(21)6-5-10-4-3-8-24-10/h3-6,8H,2,7,9,17H2,1H3,(H,18,22,23)/b6-5+
InChIKeyZEOWMTUXNAMUEO-AATRIKPKSA-N
MW347.33 g/mol
LogP0.56
Rot. Bonds7

About [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 7852354) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID7852354
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCCn1c(N)c(C(=O)COC(=O)/C=C/c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O6/c1-2-7-19-14(17)13(15(22)18-16(19)23)11(20)9-25-12(21)6-5-10-4-3-8-24-10/h3-6,8H,2,7,9,17H2,1H3,(H,18,22,23)/b6-5+
InChIKeyZEOWMTUXNAMUEO-AATRIKPKSA-N
XLogP0.56
TPSA137.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970615
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617809
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663893
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 6215046
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 25162117
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725732
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7697349
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-fluorobenzoate
CID 7873248
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 4-bromobenzoate
CID 7783540
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] furan-2-carboxylate
CID 7814367
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 3-chlorobenzoate
CID 7838704
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9336775

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 7852354) is [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is CCCn1c(N)c(C(=O)COC(=O)/C=C/c2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is ZEOWMTUXNAMUEO-AATRIKPKSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-2-7-19-14(17)13(15(22)18-16(19)23)11(20)9-25-12(21)6-5-10-4-3-8-24-10/h3-6,8H,2,7,9,17H2,1H3,(H,18,22,23)/b6-5+.
What are the key properties of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 347.33 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 7852354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).