methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate

C10H14N2O3S — CID 135500475

IUPACmethyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate
SMILESCCCc1cc(=O)[nH]c(SCC(=O)OC)n1
InChIInChI=1S/C10H14N2O3S/c1-3-4-7-5-8(13)12-10(11-7)16-6-9(14)15-2/h5H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyUUFUUQAZQKIKGG-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.99
Rot. Bonds5

About methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate

methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate (PubChem CID 135500475) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate
PubChem CID135500475
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate
SMILESCCCc1cc(=O)[nH]c(SCC(=O)OC)n1
InChIInChI=1S/C10H14N2O3S/c1-3-4-7-5-8(13)12-10(11-7)16-6-9(14)15-2/h5H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyUUFUUQAZQKIKGG-UHFFFAOYSA-N
XLogP0.99
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate (CID 135500475) is methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate is CCCc1cc(=O)[nH]c(SCC(=O)OC)n1.
What is the InChIKey of methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate?
The InChIKey is UUFUUQAZQKIKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-4-7-5-8(13)12-10(11-7)16-6-9(14)15-2/h5H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate?
methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate has a molecular weight of 242.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate is sourced from PubChem (CID 135500475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).