4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide

C13H13N3O3 — CID 53222393

IUPAC4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O3/c1-16(2)12(18)9-5-3-8(4-6-9)10-7-14-13(19)15-11(10)17/h3-7H,1-2H3,(H2,14,15,17,19)
InChIKeyAJXDICCIRZOFBH-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.43
Rot. Bonds2

About 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide

4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide (PubChem CID 53222393) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide
PubChem CID53222393
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O3/c1-16(2)12(18)9-5-3-8(4-6-9)10-7-14-13(19)15-11(10)17/h3-7H,1-2H3,(H2,14,15,17,19)
InChIKeyAJXDICCIRZOFBH-UHFFFAOYSA-N
XLogP0.43
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide (CID 53222393) is 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide?
The InChIKey is AJXDICCIRZOFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16(2)12(18)9-5-3-8(4-6-9)10-7-14-13(19)15-11(10)17/h3-7H,1-2H3,(H2,14,15,17,19).
What are the key properties of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide?
4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide has a molecular weight of 259.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 53222393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).