2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid

C10H12N2O3S — CID 62402572

IUPAC2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc(=O)ccn1C1CCC1
InChIInChI=1S/C10H12N2O3S/c13-8-4-5-12(7-2-1-3-7)10(11-8)16-6-9(14)15/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyKWBAASVFASMRNA-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.14
Rot. Bonds4

About 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid

2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid (PubChem CID 62402572) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid
PubChem CID62402572
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc(=O)ccn1C1CCC1
InChIInChI=1S/C10H12N2O3S/c13-8-4-5-12(7-2-1-3-7)10(11-8)16-6-9(14)15/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyKWBAASVFASMRNA-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid (CID 62402572) is 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid is O=C(O)CSc1nc(=O)ccn1C1CCC1.
What is the InChIKey of 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is KWBAASVFASMRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-8-4-5-12(7-2-1-3-7)10(11-8)16-6-9(14)15/h4-5,7H,1-3,6H2,(H,14,15).
What are the key properties of 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid?
2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 240.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-4-oxopyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 62402572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).