2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide

C18H23F2N5O4 — CID 46690480

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCCCCn1c(N)c(N(C)CC(=O)Nc2ccccc2OC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C18H23F2N5O4/c1-3-4-9-25-15(21)14(16(27)23-18(25)28)24(2)10-13(26)22-11-7-5-6-8-12(11)29-17(19)20/h5-8,17H,3-4,9-10,21H2,1-2H3,(H,22,26)(H,23,27,28)
InChIKeyUWYXJWWHGHEFMK-UHFFFAOYSA-N
MW411.41 g/mol
LogP1.60
Rot. Bonds9

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 46690480) has the molecular formula C18H23F2N5O4 and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID46690480
Molecular FormulaC18H23F2N5O4
Molecular Weight411.41 g/mol
Exact Mass411.17
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCCCCn1c(N)c(N(C)CC(=O)Nc2ccccc2OC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C18H23F2N5O4/c1-3-4-9-25-15(21)14(16(27)23-18(25)28)24(2)10-13(26)22-11-7-5-6-8-12(11)29-17(19)20/h5-8,17H,3-4,9-10,21H2,1-2H3,(H,22,26)(H,23,27,28)
InChIKeyUWYXJWWHGHEFMK-UHFFFAOYSA-N
XLogP1.60
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide 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

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 30871046
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[2-(difluoromethoxy)phenyl]-N-propylprop-2-enamide
CID 16594296
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(1,2-diphenylethyl)acetamide
CID 55499880
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 55500431
ethyl 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 55499426
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55500426
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 55500126
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide
CID 26195713
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 30870975
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 55591122
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 34196228

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 46690480) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide is CCCCn1c(N)c(N(C)CC(=O)Nc2ccccc2OC(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is UWYXJWWHGHEFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O4/c1-3-4-9-25-15(21)14(16(27)23-18(25)28)24(2)10-13(26)22-11-7-5-6-8-12(11)29-17(19)20/h5-8,17H,3-4,9-10,21H2,1-2H3,(H,22,26)(H,23,27,28).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 411.41 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 46690480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).