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

C9H13N3O2S — CID 9143648

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C9H13N3O2S/c1-6(2)11-8(14)5-15-9-10-4-3-7(13)12-9/h3-4,6H,5H2,1-2H3,(H,11,14)(H,10,12,13)
InChIKeyNPLDWEXJVRJNII-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.39
Rot. Bonds4

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

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 9143648) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID9143648
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C9H13N3O2S/c1-6(2)11-8(14)5-15-9-10-4-3-7(13)12-9/h3-4,6H,5H2,1-2H3,(H,11,14)(H,10,12,13)
InChIKeyNPLDWEXJVRJNII-UHFFFAOYSA-N
XLogP0.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 9143648) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is NPLDWEXJVRJNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6(2)11-8(14)5-15-9-10-4-3-7(13)12-9/h3-4,6H,5H2,1-2H3,(H,11,14)(H,10,12,13).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 227.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 9143648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).