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

C11H15N5O3 — CID 46824514

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H15N5O3/c1-6(9(17)12-2)16-5-13-8-7(16)10(18)15(4)11(19)14(8)3/h5-6H,1-4H3,(H,12,17)
InChIKeyWDVNHAGWUVGUHB-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.26
Rot. Bonds2

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

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide (PubChem CID 46824514) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
PubChem CID46824514
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H15N5O3/c1-6(9(17)12-2)16-5-13-8-7(16)10(18)15(4)11(19)14(8)3/h5-6H,1-4H3,(H,12,17)
InChIKeyWDVNHAGWUVGUHB-UHFFFAOYSA-N
XLogP-1.26
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237378
(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 7856269
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid
CID 118471919
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl chloride
CID 123768598
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 7856321
N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237383
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 51140042
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 16534950
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17454283
N-[4-[(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl]phenyl]-2-methylpropanamide
CID 40709967
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)propanamide
CID 4805058
ethyl (2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
CID 26433996

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide (CID 46824514) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide is CNC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
The InChIKey is WDVNHAGWUVGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-6(9(17)12-2)16-5-13-8-7(16)10(18)15(4)11(19)14(8)3/h5-6H,1-4H3,(H,12,17).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide has a molecular weight of 265.27 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide is sourced from PubChem (CID 46824514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).