2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C9H13N3O3S — CID 713223

IUPAC2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1c(O)nc(SCC(N)=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3S/c1-4(2)6-7(14)11-9(12-8(6)15)16-3-5(10)13/h4H,3H2,1-2H3,(H2,10,13)(H2,11,12,14,15)
InChIKeyLWFYSJDEEDXCEI-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.18
Rot. Bonds4

About 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 713223) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID713223
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1c(O)nc(SCC(N)=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3S/c1-4(2)6-7(14)11-9(12-8(6)15)16-3-5(10)13/h4H,3H2,1-2H3,(H2,10,13)(H2,11,12,14,15)
InChIKeyLWFYSJDEEDXCEI-UHFFFAOYSA-N
XLogP0.18
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 713223) is 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC(C)c1c(O)nc(SCC(N)=O)[nH]c1=O.
What is the InChIKey of 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is LWFYSJDEEDXCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-4(2)6-7(14)11-9(12-8(6)15)16-3-5(10)13/h4H,3H2,1-2H3,(H2,10,13)(H2,11,12,14,15).
What are the key properties of 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 243.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 713223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).