(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide

C18H24N4O4 — CID 2563667

IUPAC(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O4/c1-3-5-11-21(14(23)9-8-13-7-6-12-26-13)15-16(19)22(10-4-2)18(25)20-17(15)24/h6-9,12H,3-5,10-11,19H2,1-2H3,(H,20,24,25)/b9-8+
InChIKeyRIONMSOIEHJJHD-CMDGGOBGSA-N
MW360.41 g/mol
LogP1.97
Rot. Bonds8

About (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide

(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 2563667) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
PubChem CID2563667
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O4/c1-3-5-11-21(14(23)9-8-13-7-6-12-26-13)15-16(19)22(10-4-2)18(25)20-17(15)24/h6-9,12H,3-5,10-11,19H2,1-2H3,(H,20,24,25)/b9-8+
InChIKeyRIONMSOIEHJJHD-CMDGGOBGSA-N
XLogP1.97
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.97
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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Related Compounds

5-Furfurylidene hydantoin
CID 5370029
(5E)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 6289442
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 16301230
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-(2-furyl)acrylamide
CID 898057
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2465668
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 3000064
5-(2-Furylmethylene)-3-isobutyl-2-thioxo-4-imidazolidinone
CID 5411557
methyl 2-[(4E)-4-[(5-methylfuran-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 5883248
3-(2-Furylmethylene)tetrahydro-2,5-pyrazinedione
CID 6525008
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 24982924
diethyl 5,5'-[[(2-furylmethyl)imino]bis(methylene)]bis(2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate)
CID 2171730
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylfuran-2-carboxamide
CID 9506465

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide (CID 2563667) is (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide is CCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is RIONMSOIEHJJHD-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-3-5-11-21(14(23)9-8-13-7-6-12-26-13)15-16(19)22(10-4-2)18(25)20-17(15)24/h6-9,12H,3-5,10-11,19H2,1-2H3,(H,20,24,25)/b9-8+.
What are the key properties of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 360.41 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2563667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).