2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one

C7H10N2OS — CID 65130539

IUPAC2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCSCc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-2-11-5-6-8-4-3-7(10)9-6/h3-4H,2,5H2,1H3,(H,8,9,10)
InChIKeyGLFBTLLUFHTDPY-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.02
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one

2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 65130539) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID65130539
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCSCc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-2-11-5-6-8-4-3-7(10)9-6/h3-4H,2,5H2,1H3,(H,8,9,10)
InChIKeyGLFBTLLUFHTDPY-UHFFFAOYSA-N
XLogP1.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one (CID 65130539) is 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one is CCSCc1nccc(=O)[nH]1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is GLFBTLLUFHTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-11-5-6-8-4-3-7(10)9-6/h3-4H,2,5H2,1H3,(H,8,9,10).
What are the key properties of 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one?
2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 170.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65130539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).