6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one

C6H10N4O2S — CID 136773049

IUPAC6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one
SMILESCSC1N=C(N)C(=NO)C(=O)N1C
InChIInChI=1S/C6H10N4O2S/c1-10-5(11)3(9-12)4(7)8-6(10)13-2/h6,12H,1-2H3,(H2,7,8)
InChIKeyYGARNXADVBHMNR-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.71
Rot. Bonds1

About 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one

6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one (PubChem CID 136773049) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one
PubChem CID136773049
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one
SMILESCSC1N=C(N)C(=NO)C(=O)N1C
InChIInChI=1S/C6H10N4O2S/c1-10-5(11)3(9-12)4(7)8-6(10)13-2/h6,12H,1-2H3,(H2,7,8)
InChIKeyYGARNXADVBHMNR-UHFFFAOYSA-N
XLogP-0.71
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one?
The IUPAC name of 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one (CID 136773049) is 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one.
What is the SMILES notation for 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one?
The canonical SMILES for 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one is CSC1N=C(N)C(=NO)C(=O)N1C.
What is the InChIKey of 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one?
The InChIKey is YGARNXADVBHMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-10-5(11)3(9-12)4(7)8-6(10)13-2/h6,12H,1-2H3,(H2,7,8).
What are the key properties of 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one?
6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one has a molecular weight of 202.24 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one is sourced from PubChem (CID 136773049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).