3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide

C9H13N3O3 — CID 20540634

IUPAC3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1c[nH]c(=O)[nH]c1=O)C(N)=O
InChIInChI=1S/C9H13N3O3/c1-9(2,7(10)14)3-5-4-11-8(15)12-6(5)13/h4H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyFZRFZOQXTAIZBT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.88
Rot. Bonds3

About 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide

3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide (PubChem CID 20540634) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide
PubChem CID20540634
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1c[nH]c(=O)[nH]c1=O)C(N)=O
InChIInChI=1S/C9H13N3O3/c1-9(2,7(10)14)3-5-4-11-8(15)12-6(5)13/h4H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyFZRFZOQXTAIZBT-UHFFFAOYSA-N
XLogP-0.88
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
CID 592713
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
5-Thyminyl-5,6-dihydrothymine
CID 161592
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1-methyl-
CID 68250687
5-sec-Butyluracil
CID 587021
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-3-methyl-
CID 130005195
5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 352996
5-(Aminopropyl) uracil
CID 18970231
5-(4-methylpentyl)-1H-pyrimidine-2,4-dione
CID 289977
5-butyl-3-fluoro-1H-pyrimidine-2,4-dione
CID 174651068

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide (CID 20540634) is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide is CC(C)(Cc1c[nH]c(=O)[nH]c1=O)C(N)=O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
The InChIKey is FZRFZOQXTAIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,7(10)14)3-5-4-11-8(15)12-6(5)13/h4H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide has a molecular weight of 211.22 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 20540634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).