4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one

C5H6N4O2S — CID 135408765

IUPAC4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
SMILESCSc1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C5H6N4O2S/c1-12-5-7-3(6)2(9-11)4(10)8-5/h1H3,(H3,6,7,8,10)
InChIKeyXKAYRHLZQHITSP-UHFFFAOYSA-N
MW186.20 g/mol
LogP0.47
Rot. Bonds2

About 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one

4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135408765) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
PubChem CID135408765
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC Name4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
SMILESCSc1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C5H6N4O2S/c1-12-5-7-3(6)2(9-11)4(10)8-5/h1H3,(H3,6,7,8,10)
InChIKeyXKAYRHLZQHITSP-UHFFFAOYSA-N
XLogP0.47
TPSA101.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one (CID 135408765) is 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one is CSc1nc(N)c(N=O)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is XKAYRHLZQHITSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S/c1-12-5-7-3(6)2(9-11)4(10)8-5/h1H3,(H3,6,7,8,10).
What are the key properties of 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 186.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135408765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).