2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

C10H14N4O3S — CID 9143494

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H14N4O3S/c1-6(2)12-9(17)13-8(16)5-18-10-11-4-3-7(15)14-10/h3-4,6H,5H2,1-2H3,(H,11,14,15)(H2,12,13,16,17)
InChIKeyVYPPBLUEQDOUNT-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.10
Rot. Bonds4

About 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 9143494) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID9143494
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H14N4O3S/c1-6(2)12-9(17)13-8(16)5-18-10-11-4-3-7(15)14-10/h3-4,6H,5H2,1-2H3,(H,11,14,15)(H2,12,13,16,17)
InChIKeyVYPPBLUEQDOUNT-UHFFFAOYSA-N
XLogP0.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (CID 9143494) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is VYPPBLUEQDOUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-6(2)12-9(17)13-8(16)5-18-10-11-4-3-7(15)14-10/h3-4,6H,5H2,1-2H3,(H,11,14,15)(H2,12,13,16,17).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 270.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 9143494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).