4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one

C6H9N3OS — CID 135418977

IUPAC4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C6H9N3OS/c1-2-11-6-8-4(7)3-5(10)9-6/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKeyOYIIQANZEPCOQV-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.46
Rot. Bonds2

About 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one

4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135418977) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one
PubChem CID135418977
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C6H9N3OS/c1-2-11-6-8-4(7)3-5(10)9-6/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKeyOYIIQANZEPCOQV-UHFFFAOYSA-N
XLogP0.46
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one (CID 135418977) is 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one is CCSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is OYIIQANZEPCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-2-11-6-8-4(7)3-5(10)9-6/h3H,2H2,1H3,(H3,7,8,9,10).
What are the key properties of 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one?
4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 171.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).