3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione

C10H14N2O3S — CID 126563201

IUPAC3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)Cn1c(=O)cc(SC(C)C)[nH]c1=O
InChIInChI=1S/C10H14N2O3S/c1-6(2)16-8-4-9(14)12(5-7(3)13)10(15)11-8/h4,6H,5H2,1-3H3,(H,11,15)
InChIKeySZUPTPZWMYBCSP-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.63
Rot. Bonds4

About 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione

3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 126563201) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione
PubChem CID126563201
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)Cn1c(=O)cc(SC(C)C)[nH]c1=O
InChIInChI=1S/C10H14N2O3S/c1-6(2)16-8-4-9(14)12(5-7(3)13)10(15)11-8/h4,6H,5H2,1-3H3,(H,11,15)
InChIKeySZUPTPZWMYBCSP-UHFFFAOYSA-N
XLogP0.63
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione (CID 126563201) is 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione is CC(=O)Cn1c(=O)cc(SC(C)C)[nH]c1=O.
What is the InChIKey of 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is SZUPTPZWMYBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(2)16-8-4-9(14)12(5-7(3)13)10(15)11-8/h4,6H,5H2,1-3H3,(H,11,15).
What are the key properties of 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione?
3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 242.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-6-propan-2-ylsulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126563201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).