5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one

C6H7ClN2OS — CID 605402

IUPAC5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1ncc(Cl)c(=O)[nH]1
InChIInChI=1S/C6H7ClN2OS/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyDAEZJMUBVLKPBR-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.54
Rot. Bonds2

About 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one

5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one (PubChem CID 605402) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one
PubChem CID605402
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1ncc(Cl)c(=O)[nH]1
InChIInChI=1S/C6H7ClN2OS/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyDAEZJMUBVLKPBR-UHFFFAOYSA-N
XLogP1.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AC1NR783
CID 5235666
4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
CID 266536
2,5-bis(methylsulfanyl)-1H-pyrimidin-6-one
CID 243822
2-Propylthio-5-chloro-pyrimidin-4(3H)-one
CID 595544
2-Buthylthio-5-chloro-pyrimidin-4(3H)-one
CID 595549
2-Ethylmercapto-4-amino-5-chloro-6-hydroxypyrimidine
CID 135735504
2-(Ethylsulfanyl)-5-iodopyrimidin-4(3H)-one
CID 13530708
2-(2-chloroethylsulfanyl)-1H-pyrimidin-6-one
CID 43445832
5-chloro-4-ethylsulfanyl-1H-pyrimidin-6-one
CID 114790936
2-(2-chloroprop-2-enylsulfanyl)-1H-pyrimidin-6-one
CID 131036063

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one (CID 605402) is 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one is CCSc1ncc(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is DAEZJMUBVLKPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 190.66 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 605402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).