(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide

C19H18N4O4 — CID 7997467

IUPAC(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O4/c1-22(15(24)10-9-14-8-5-11-27-14)16-17(20)23(19(26)21-18(16)25)12-13-6-3-2-4-7-13/h2-11H,12,20H2,1H3,(H,21,25,26)/b10-9+
InChIKeyFABFGWGSWHTDRG-MDZDMXLPSA-N
MW366.38 g/mol
LogP1.44
Rot. Bonds5

About (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide

(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide (PubChem CID 7997467) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide
PubChem CID7997467
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O4/c1-22(15(24)10-9-14-8-5-11-27-14)16-17(20)23(19(26)21-18(16)25)12-13-6-3-2-4-7-13/h2-11H,12,20H2,1H3,(H,21,25,26)/b10-9+
InChIKeyFABFGWGSWHTDRG-MDZDMXLPSA-N
XLogP1.44
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide (CID 7997467) is (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide?
The InChIKey is FABFGWGSWHTDRG-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-22(15(24)10-9-14-8-5-11-27-14)16-17(20)23(19(26)21-18(16)25)12-13-6-3-2-4-7-13/h2-11H,12,20H2,1H3,(H,21,25,26)/b10-9+.
What are the key properties of (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide?
(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide has a molecular weight of 366.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 7997467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).