5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one

C7H9ClN2OS — CID 137272431

IUPAC5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCSc1nc(C)c(Cl)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2OS/c1-3-12-7-9-4(2)5(8)6(11)10-7/h3H2,1-2H3,(H,9,10,11)
InChIKeySVYVGRPKVLZLKH-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.84
Rot. Bonds2

About 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one

5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 137272431) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID137272431
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCSc1nc(C)c(Cl)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2OS/c1-3-12-7-9-4(2)5(8)6(11)10-7/h3H2,1-2H3,(H,9,10,11)
InChIKeySVYVGRPKVLZLKH-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-(methylthio)-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 135604887
5-Amino-6-chloro-2-(propylsulfanyl)pyrimidin-4-ol
CID 167715888
5-chloro-4-(1-fluoroethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 139947526
2-ethylsulfanyl-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 135514315
Ethyl [(5-chloro-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetate
CID 135431206
2-(Ethylthio)-5-fluoro-6-methyl-4(3H)-pyrimidinone
CID 137206204
5-Chloro-6-methyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 135538378
2-Ethylmercapto-4-amino-5-chloro-6-hydroxypyrimidine
CID 135735504
5-amino-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
CID 137128536
5-chloro-4-(chloromethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137195239
5-chloro-4-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
CID 152636463
2-(2-chloroethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
CID 135934704

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one (CID 137272431) is 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one is CCSc1nc(C)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SVYVGRPKVLZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-3-12-7-9-4(2)5(8)6(11)10-7/h3H2,1-2H3,(H,9,10,11).
What are the key properties of 5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 204.68 g/mol, XLogP of 1.84, 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-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137272431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).