(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide

C24H34N4O6 — CID 55344818

IUPAC(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)N(CCOC)c2c(N)n(CCC)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C24H34N4O6/c1-5-7-14-34-18-10-8-17(16-19(18)33-4)9-11-20(29)27(13-15-32-3)21-22(25)28(12-6-2)24(31)26-23(21)30/h8-11,16H,5-7,12-15,25H2,1-4H3,(H,26,30,31)/b11-9+
InChIKeyLTNYOCRDSVKKGB-PKNBQFBNSA-N
MW474.56 g/mol
LogP2.41
Rot. Bonds13

About (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide

(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 55344818) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID55344818
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Name(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)N(CCOC)c2c(N)n(CCC)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C24H34N4O6/c1-5-7-14-34-18-10-8-17(16-19(18)33-4)9-11-20(29)27(13-15-32-3)21-22(25)28(12-6-2)24(31)26-23(21)30/h8-11,16H,5-7,12-15,25H2,1-4H3,(H,26,30,31)/b11-9+
InChIKeyLTNYOCRDSVKKGB-PKNBQFBNSA-N
XLogP2.41
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)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

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 34052379
(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 26120716
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 26186042
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 29403364
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 6215046
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-bromo-2-methoxyphenyl)-N-butylprop-2-enamide
CID 16550099
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 26185744
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 71904469
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-chlorophenyl)prop-2-enamide
CID 29441374
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 24687834
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 31494741

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide (CID 55344818) is (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide is CCCCOc1ccc(/C=C/C(=O)N(CCOC)c2c(N)n(CCC)c(=O)[nH]c2=O)cc1OC.
What is the InChIKey of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is LTNYOCRDSVKKGB-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-5-7-14-34-18-10-8-17(16-19(18)33-4)9-11-20(29)27(13-15-32-3)21-22(25)28(12-6-2)24(31)26-23(21)30/h8-11,16H,5-7,12-15,25H2,1-4H3,(H,26,30,31)/b11-9+.
What are the key properties of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 474.56 g/mol, XLogP of 2.41, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 55344818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).