2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide

C16H16FN5O3 — CID 26696603

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C16H16FN5O3/c1-9-4-5-10(17)6-11(9)19-12(23)7-22-15(24)13-14(18-8-20(13)2)21(3)16(22)25/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyUGTWJOBZEYFBDW-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.52
Rot. Bonds3

About 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 26696603) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID26696603
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C16H16FN5O3/c1-9-4-5-10(17)6-11(9)19-12(23)7-22-15(24)13-14(18-8-20(13)2)21(3)16(22)25/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyUGTWJOBZEYFBDW-UHFFFAOYSA-N
XLogP0.52
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708502
2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18290957
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 26696316
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide
CID 26727406
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-methylphenyl)acetamide
CID 26914167
N-[(2-bromo-5-fluorophenyl)methyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 52702703
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 55576879
N-(5-fluoro-2-methylphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502454
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 25352496
N-[3-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532137
N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 50812799
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 167977296

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 26696603) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is UGTWJOBZEYFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c1-9-4-5-10(17)6-11(9)19-12(23)7-22-15(24)13-14(18-8-20(13)2)21(3)16(22)25/h4-6,8H,7H2,1-3H3,(H,19,23).
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 345.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 26696603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).