2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C8H6FN5OS — CID 80893631

IUPAC2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C8H6FN5OS/c9-4-3-12-7(10)14-6(4)16-8-11-2-1-5(15)13-8/h1-3H,(H2,10,12,14)(H,11,13,15)
InChIKeyOYZURCCUPDMXLE-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.43
Rot. Bonds2

About 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80893631) has the molecular formula C8H6FN5OS and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80893631
Molecular FormulaC8H6FN5OS
Molecular Weight239.23 g/mol
Exact Mass239.03
IUPAC Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C8H6FN5OS/c9-4-3-12-7(10)14-6(4)16-8-11-2-1-5(15)13-8/h1-3H,(H2,10,12,14)(H,11,13,15)
InChIKeyOYZURCCUPDMXLE-UHFFFAOYSA-N
XLogP0.43
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80893631) is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is Nc1ncc(F)c(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is OYZURCCUPDMXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5OS/c9-4-3-12-7(10)14-6(4)16-8-11-2-1-5(15)13-8/h1-3H,(H2,10,12,14)(H,11,13,15).
What are the key properties of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 239.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80893631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).