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

C6H9N3O2S — CID 114578902

IUPAC5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1c(SCCO)nc[nH]c1=O
InChIInChI=1S/C6H9N3O2S/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2,7H2,(H,8,9,11)
InChIKeyRXOULJIIJVSNBH-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.56
Rot. Bonds3

About 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one

5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 114578902) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID114578902
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1c(SCCO)nc[nH]c1=O
InChIInChI=1S/C6H9N3O2S/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2,7H2,(H,8,9,11)
InChIKeyRXOULJIIJVSNBH-UHFFFAOYSA-N
XLogP-0.56
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (CID 114578902) is 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is Nc1c(SCCO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is RXOULJIIJVSNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2,7H2,(H,8,9,11).
What are the key properties of 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 187.22 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114578902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).