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

C6H9N3O2S — CID 4551610

IUPAC6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNc1[nH]c(=S)[nH]c(=O)c1CCO
InChIInChI=1S/C6H9N3O2S/c7-4-3(1-2-10)5(11)9-6(12)8-4/h10H,1-2H2,(H4,7,8,9,11,12)
InChIKeyLNWWEZYOWLBVIE-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.45
Rot. Bonds2

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

6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 4551610) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID4551610
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNc1[nH]c(=S)[nH]c(=O)c1CCO
InChIInChI=1S/C6H9N3O2S/c7-4-3(1-2-10)5(11)9-6(12)8-4/h10H,1-2H2,(H4,7,8,9,11,12)
InChIKeyLNWWEZYOWLBVIE-UHFFFAOYSA-N
XLogP-0.45
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 4551610) is 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one is Nc1[nH]c(=S)[nH]c(=O)c1CCO.
What is the InChIKey of 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is LNWWEZYOWLBVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-4-3(1-2-10)5(11)9-6(12)8-4/h10H,1-2H2,(H4,7,8,9,11,12).
What are the key properties of 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 187.22 g/mol, XLogP of -0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 4551610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).