N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide

C16H15F2N5O3 — CID 51237383

IUPACN-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
SMILESCC(C(=O)Nc1c(F)cccc1F)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H15F2N5O3/c1-8(14(24)20-11-9(17)5-4-6-10(11)18)23-7-19-13-12(23)15(25)22(3)16(26)21(13)2/h4-8H,1-3H3,(H,20,24)
InChIKeyCYXUUIHJHYICBQ-UHFFFAOYSA-N
MW363.32 g/mol
LogP0.91
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide

N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (PubChem CID 51237383) has the molecular formula C16H15F2N5O3 and a molecular weight of 363.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
PubChem CID51237383
Molecular FormulaC16H15F2N5O3
Molecular Weight363.32 g/mol
Exact Mass363.11
IUPAC NameN-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
SMILESCC(C(=O)Nc1c(F)cccc1F)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H15F2N5O3/c1-8(14(24)20-11-9(17)5-4-6-10(11)18)23-7-19-13-12(23)15(25)22(3)16(26)21(13)2/h4-8H,1-3H3,(H,20,24)
InChIKeyCYXUUIHJHYICBQ-UHFFFAOYSA-N
XLogP0.91
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 51140042
N-(2,5-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237381
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 7856321
(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 7856269
N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 16534949
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
CID 46824514
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)propanamide
CID 4805058
N-tert-butyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237378
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 40661315
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)propanamide
CID 86763606
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17454283
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 16534950

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (CID 51237383) is N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is CC(C(=O)Nc1c(F)cccc1F)n1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The InChIKey is CYXUUIHJHYICBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3/c1-8(14(24)20-11-9(17)5-4-6-10(11)18)23-7-19-13-12(23)15(25)22(3)16(26)21(13)2/h4-8H,1-3H3,(H,20,24).
What are the key properties of N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide has a molecular weight of 363.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is sourced from PubChem (CID 51237383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).