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

C9H13N3O3 — CID 728363

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-9(2,3)7(14)11-5-4-10-8(15)12-6(5)13/h4H,1-3H3,(H,11,14)(H2,10,12,13,15)
InChIKeyKWARPIRDJMRWSH-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.05
Rot. Bonds1

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

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide (PubChem CID 728363) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide
PubChem CID728363
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-9(2,3)7(14)11-5-4-10-8(15)12-6(5)13/h4H,1-3H3,(H,11,14)(H2,10,12,13,15)
InChIKeyKWARPIRDJMRWSH-UHFFFAOYSA-N
XLogP0.05
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Aminouracil
CID 13611
5-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 651501
5-(Dimethylamino)uracil
CID 255552
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbutanamide
CID 2228116
2-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 42600450
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-ethylbutanamide
CID 3159468
N-(2-Aminoethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 4264356
5-Methylaminouracil
CID 255550
1,3-Dimethyl-5-[(prop-2-yn-1-yl)amino]pyrimidine-2,4(1H,3H)-dione
CID 13546443
5-Ureido-uracil
CID 45064263
N-methyl(1-thyminyl)acetamide
CID 60051046

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide (CID 728363) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
The InChIKey is KWARPIRDJMRWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,3)7(14)11-5-4-10-8(15)12-6(5)13/h4H,1-3H3,(H,11,14)(H2,10,12,13,15).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide has a molecular weight of 211.22 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 728363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).