(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide

C21H26F2N4O4 — CID 16594296

IUPAC(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)/C=C/c2ccccc2OC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C21H26F2N4O4/c1-3-5-13-27-18(24)17(19(29)25-21(27)30)26(12-4-2)16(28)11-10-14-8-6-7-9-15(14)31-20(22)23/h6-11,20H,3-5,12-13,24H2,1-2H3,(H,25,29,30)/b11-10+
InChIKeyWQUBSDBRYYLNDI-ZHACJKMWSA-N
MW436.46 g/mol
LogP2.98
Rot. Bonds10

About (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide (PubChem CID 16594296) has the molecular formula C21H26F2N4O4 and a molecular weight of 436.46 g/mol. Its IUPAC name is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide
PubChem CID16594296
Molecular FormulaC21H26F2N4O4
Molecular Weight436.46 g/mol
Exact Mass436.19
IUPAC Name(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)/C=C/c2ccccc2OC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C21H26F2N4O4/c1-3-5-13-27-18(24)17(19(29)25-21(27)30)26(12-4-2)16(28)11-10-14-8-6-7-9-15(14)31-20(22)23/h6-11,20H,3-5,12-13,24H2,1-2H3,(H,25,29,30)/b11-10+
InChIKeyWQUBSDBRYYLNDI-ZHACJKMWSA-N
XLogP2.98
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.98
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-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-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-(2-nitrophenyl)-N-pentylprop-2-enamide
CID 26205814
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 26185744
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
(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)-3-(2,3-dichlorophenyl)-N-ethylprop-2-enamide
CID 30252338
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 46690480
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 8839015
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide
CID 26195713
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 26195724
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-chlorophenyl)prop-2-enamide
CID 29441374
(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-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 34052379

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide (CID 16594296) is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide is CCCCn1c(N)c(N(CCC)C(=O)/C=C/c2ccccc2OC(F)F)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide?
The InChIKey is WQUBSDBRYYLNDI-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H26F2N4O4/c1-3-5-13-27-18(24)17(19(29)25-21(27)30)26(12-4-2)16(28)11-10-14-8-6-7-9-15(14)31-20(22)23/h6-11,20H,3-5,12-13,24H2,1-2H3,(H,25,29,30)/b11-10+.
What are the key properties of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide?
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide has a molecular weight of 436.46 g/mol, XLogP of 2.98, 10 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-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide is sourced from PubChem (CID 16594296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).