2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide

C14H20N4O3S — CID 136898255

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C14H20N4O3S/c1-8(2)18-6-10(5-13(18)21)16-12(20)7-22-14-15-9(3)4-11(19)17-14/h4,8,10H,5-7H2,1-3H3,(H,16,20)(H,15,17,19)/t10-/m1/s1
InChIKeyDOZJSYBWHWYEQZ-SNVBAGLBSA-N
MW324.41 g/mol
LogP0.30
Rot. Bonds5

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 136898255) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID136898255
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C14H20N4O3S/c1-8(2)18-6-10(5-13(18)21)16-12(20)7-22-14-15-9(3)4-11(19)17-14/h4,8,10H,5-7H2,1-3H3,(H,16,20)(H,15,17,19)/t10-/m1/s1
InChIKeyDOZJSYBWHWYEQZ-SNVBAGLBSA-N
XLogP0.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide (CID 136898255) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is DOZJSYBWHWYEQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-8(2)18-6-10(5-13(18)21)16-12(20)7-22-14-15-9(3)4-11(19)17-14/h4,8,10H,5-7H2,1-3H3,(H,16,20)(H,15,17,19)/t10-/m1/s1.
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 136898255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).