N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C13H20N4O3 — CID 99997704

IUPACN-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCN1CC[C@](C)(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H20N4O3/c1-13(3-4-17(2)8-13)7-15-10(18)5-9-6-14-12(20)16-11(9)19/h6H,3-5,7-8H2,1-2H3,(H,15,18)(H2,14,16,19,20)/t13-/m1/s1
InChIKeyZAUYBHRBHOSNDE-CYBMUJFWSA-N
MW280.33 g/mol
LogP-0.94
Rot. Bonds4

About N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 99997704) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID99997704
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCN1CC[C@](C)(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H20N4O3/c1-13(3-4-17(2)8-13)7-15-10(18)5-9-6-14-12(20)16-11(9)19/h6H,3-5,7-8H2,1-2H3,(H,15,18)(H2,14,16,19,20)/t13-/m1/s1
InChIKeyZAUYBHRBHOSNDE-CYBMUJFWSA-N
XLogP-0.94
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide with MolForge

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Related Compounds

N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 99948118
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 56713228
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
CID 113364724
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
CID 131933559
5-[(1,3-dimethylpyrrolidin-3-yl)methylcarbamoyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 131897342
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 15031088
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 107162900
4-carbamothioyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107164094
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 99997704) is N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CN1CC[C@](C)(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is ZAUYBHRBHOSNDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(3-4-17(2)8-13)7-15-10(18)5-9-6-14-12(20)16-11(9)19/h6H,3-5,7-8H2,1-2H3,(H,15,18)(H2,14,16,19,20)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 99997704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).