N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide

C21H20F2N4O4 — CID 26175777

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1OC(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H20F2N4O4/c1-2-26(19(29)14-10-6-7-11-15(14)31-20(22)23)16-17(24)27(21(30)25-18(16)28)12-13-8-4-3-5-9-13/h3-11,20H,2,12,24H2,1H3,(H,25,28,30)
InChIKeyRMCNMHUNZMKMAH-UHFFFAOYSA-N
MW430.41 g/mol
LogP2.44
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide (PubChem CID 26175777) has the molecular formula C21H20F2N4O4 and a molecular weight of 430.41 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide
PubChem CID26175777
Molecular FormulaC21H20F2N4O4
Molecular Weight430.41 g/mol
Exact Mass430.15
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1OC(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H20F2N4O4/c1-2-26(19(29)14-10-6-7-11-15(14)31-20(22)23)16-17(24)27(21(30)25-18(16)28)12-13-8-4-3-5-9-13/h3-11,20H,2,12,24H2,1H3,(H,25,28,30)
InChIKeyRMCNMHUNZMKMAH-UHFFFAOYSA-N
XLogP2.44
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2,4-dimethylbenzamide
CID 26176038
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenoxybenzamide
CID 26175958
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide
CID 26195713
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide
CID 43077482
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 4825513
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
CID 18077269
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethoxy)-3-methoxy-N-(2-methoxyethyl)benzamide
CID 26120344
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
CID 8801143
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 8801145
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 26175947
1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-propylthiourea
CID 9093587

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide (CID 26175777) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide is CCN(C(=O)c1ccccc1OC(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide?
The InChIKey is RMCNMHUNZMKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4/c1-2-26(19(29)14-10-6-7-11-15(14)31-20(22)23)16-17(24)27(21(30)25-18(16)28)12-13-8-4-3-5-9-13/h3-11,20H,2,12,24H2,1H3,(H,25,28,30).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide has a molecular weight of 430.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide is sourced from PubChem (CID 26175777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).