(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide

C19H26N4O4 — CID 2465668

IUPAC(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-5-10-22(15(24)9-8-14-7-6-11-27-14)16-17(20)23(12-13(2)3)19(26)21-18(16)25/h6-9,11,13H,4-5,10,12,20H2,1-3H3,(H,21,25,26)/b9-8+
InChIKeyJJRNTSYCHYRPPA-CMDGGOBGSA-N
MW374.44 g/mol
LogP2.21
Rot. Bonds8

About (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide

(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 2465668) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide
PubChem CID2465668
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-5-10-22(15(24)9-8-14-7-6-11-27-14)16-17(20)23(12-13(2)3)19(26)21-18(16)25/h6-9,11,13H,4-5,10,12,20H2,1-3H3,(H,21,25,26)/b9-8+
InChIKeyJJRNTSYCHYRPPA-CMDGGOBGSA-N
XLogP2.21
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 2547893
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2563667
[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
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 24982924
ethyl (E,4S)-4-[[(2S)-2-[[(Z)-2-acetamido-3-(furan-2-yl)prop-2-enoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 86294796
ethyl (E,4S)-4-[[(2S)-2-[[(Z)-2-acetamido-3-(furan-2-yl)prop-2-enoyl]amino]-3,3-dimethylbutanoyl]amino]-2,5-dimethylhex-2-enoate
CID 90677168
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylfuran-2-carboxamide
CID 9506465
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide
CID 22110757

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide (CID 2465668) is (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide is CCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is JJRNTSYCHYRPPA-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-5-10-22(15(24)9-8-14-7-6-11-27-14)16-17(20)23(12-13(2)3)19(26)21-18(16)25/h6-9,11,13H,4-5,10,12,20H2,1-3H3,(H,21,25,26)/b9-8+.
What are the key properties of (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide?
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 374.44 g/mol, XLogP of 2.21, 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-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2465668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).