N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide

C15H17N3O3 — CID 2148473

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1C
InChIInChI=1S/C15H17N3O3/c1-9-5-6-11(7-10(9)2)14(20)16-12-8-13(19)18(4)15(21)17(12)3/h5-8H,1-4H3,(H,16,20)
InChIKeyVVMUEYJESUZISA-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.95
Rot. Bonds2

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide (PubChem CID 2148473) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide
PubChem CID2148473
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1C
InChIInChI=1S/C15H17N3O3/c1-9-5-6-11(7-10(9)2)14(20)16-12-8-13(19)18(4)15(21)17(12)3/h5-8H,1-4H3,(H,16,20)
InChIKeyVVMUEYJESUZISA-UHFFFAOYSA-N
XLogP0.95
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide (CID 2148473) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1C.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide?
The InChIKey is VVMUEYJESUZISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-5-6-11(7-10(9)2)14(20)16-12-8-13(19)18(4)15(21)17(12)3/h5-8H,1-4H3,(H,16,20).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 2148473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).