N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide

C23H24F2N4O6 — CID 26118391

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(OC(F)F)c(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H24F2N4O6/c1-33-11-10-28-19(26)18(20(30)27-23(28)32)29(13-14-6-4-3-5-7-14)21(31)15-8-9-16(35-22(24)25)17(12-15)34-2/h3-9,12,22H,10-11,13,26H2,1-2H3,(H,27,30,32)
InChIKeyLETUFLVFTTVZPL-UHFFFAOYSA-N
MW490.46 g/mol
LogP2.22
Rot. Bonds10

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 26118391) has the molecular formula C23H24F2N4O6 and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID26118391
Molecular FormulaC23H24F2N4O6
Molecular Weight490.46 g/mol
Exact Mass490.17
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(OC(F)F)c(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H24F2N4O6/c1-33-11-10-28-19(26)18(20(30)27-23(28)32)29(13-14-6-4-3-5-7-14)21(31)15-8-9-16(35-22(24)25)17(12-15)34-2/h3-9,12,22H,10-11,13,26H2,1-2H3,(H,27,30,32)
InChIKeyLETUFLVFTTVZPL-UHFFFAOYSA-N
XLogP2.22
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethoxy)-3-methoxy-N-(2-methoxyethyl)benzamide
CID 26120344
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-1,3-benzothiazole-6-carboxamide
CID 16548940
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methyl-3-nitrobenzamide
CID 26118483
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-nitrobenzamide
CID 4847794
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(pyrimidin-2-ylamino)benzamide
CID 25333279
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,5-difluorobenzamide
CID 55375335
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561096
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(cyclopropanecarbonylamino)benzamide
CID 55335336
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3,5-dimethoxybenzamide
CID 2644398

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide (CID 26118391) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(OC(F)F)c(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is LETUFLVFTTVZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O6/c1-33-11-10-28-19(26)18(20(30)27-23(28)32)29(13-14-6-4-3-5-7-14)21(31)15-8-9-16(35-22(24)25)17(12-15)34-2/h3-9,12,22H,10-11,13,26H2,1-2H3,(H,27,30,32).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 490.46 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 26118391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).