6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one

C4H5N3O2S — CID 141205075

IUPAC6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one
SMILESNc1c(O)cnc(=O)n1S
InChIInChI=1S/C4H5N3O2S/c5-3-2(8)1-6-4(9)7(3)10/h1,8,10H,5H2
InChIKeySHQRGQZMXAHJGX-UHFFFAOYSA-N
MW159.17 g/mol
LogP-0.78
Rot. Bonds

About 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one

6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one (PubChem CID 141205075) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one
PubChem CID141205075
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Name6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one
SMILESNc1c(O)cnc(=O)n1S
InChIInChI=1S/C4H5N3O2S/c5-3-2(8)1-6-4(9)7(3)10/h1,8,10H,5H2
InChIKeySHQRGQZMXAHJGX-UHFFFAOYSA-N
XLogP-0.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one?
The IUPAC name of 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one (CID 141205075) is 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one.
What is the SMILES notation for 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one?
The canonical SMILES for 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one is Nc1c(O)cnc(=O)n1S.
What is the InChIKey of 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one?
The InChIKey is SHQRGQZMXAHJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c5-3-2(8)1-6-4(9)7(3)10/h1,8,10H,5H2.
What are the key properties of 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one?
6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one has a molecular weight of 159.17 g/mol, XLogP of -0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hydroxy-1-sulfanylpyrimidin-2-one is sourced from PubChem (CID 141205075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).