2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one

C11H10N4O3S2 — CID 2367161

IUPAC2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)CSc1nccc(=O)[nH]1
InChIInChI=1S/C11H10N4O3S2/c16-7(5-19-10-12-3-1-8(17)14-10)6-20-11-13-4-2-9(18)15-11/h1-4H,5-6H2,(H,12,14,17)(H,13,15,18)
InChIKeyJMAWBTLJMWQAAH-UHFFFAOYSA-N
MW310.36 g/mol
LogP0.31
Rot. Bonds6

About 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one

2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 2367161) has the molecular formula C11H10N4O3S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID2367161
Molecular FormulaC11H10N4O3S2
Molecular Weight310.36 g/mol
Exact Mass310.02
IUPAC Name2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)CSc1nccc(=O)[nH]1
InChIInChI=1S/C11H10N4O3S2/c16-7(5-19-10-12-3-1-8(17)14-10)6-20-11-13-4-2-9(18)15-11/h1-4H,5-6H2,(H,12,14,17)(H,13,15,18)
InChIKeyJMAWBTLJMWQAAH-UHFFFAOYSA-N
XLogP0.31
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one (CID 2367161) is 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nccc(=O)[nH]1)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JMAWBTLJMWQAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S2/c16-7(5-19-10-12-3-1-8(17)14-10)6-20-11-13-4-2-9(18)15-11/h1-4H,5-6H2,(H,12,14,17)(H,13,15,18).
What are the key properties of 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 310.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 2367161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).