4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one

C6H8N2O2S — CID 114578907

IUPAC4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1cc(SCCO)nc[nH]1
InChIInChI=1S/C6H8N2O2S/c9-1-2-11-6-3-5(10)7-4-8-6/h3-4,9H,1-2H2,(H,7,8,10)
InChIKeyDZFQUIZAGSOSPQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.15
Rot. Bonds3

About 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one

4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 114578907) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID114578907
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1cc(SCCO)nc[nH]1
InChIInChI=1S/C6H8N2O2S/c9-1-2-11-6-3-5(10)7-4-8-6/h3-4,9H,1-2H2,(H,7,8,10)
InChIKeyDZFQUIZAGSOSPQ-UHFFFAOYSA-N
XLogP-0.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (CID 114578907) is 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is O=c1cc(SCCO)nc[nH]1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is DZFQUIZAGSOSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-1-2-11-6-3-5(10)7-4-8-6/h3-4,9H,1-2H2,(H,7,8,10).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 172.21 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114578907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).