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

C7H10N2OS — CID 598411

IUPAC2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one
SMILESCCSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-3-11-7-8-4-5(2)6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyMPXDEUQRWKVZBD-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.19
Rot. Bonds2

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

2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 598411) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one
PubChem CID598411
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one
SMILESCCSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-3-11-7-8-4-5(2)6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyMPXDEUQRWKVZBD-UHFFFAOYSA-N
XLogP1.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(allylsulfanyl)-4(3H)-pyrimidinone
CID 295848
2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile
CID 658007
4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
CID 266536
4-Pyrimidinol, 2-(ethylthio)-
CID 249308
5-Methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 240575
4-Pyrimidinol, 5-ethyl-2-methylthio-
CID 598439
((4-Hydroxy-5-methyl-2-pyrimidinyl)thio)acetic acid
CID 51060086
2,5-bis(methylsulfanyl)-1H-pyrimidin-6-one
CID 243822
4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile
CID 2727863
2-(4,4-difluorobut-3-enylsulfanyl)-5-methyl-1H-pyrimidin-6-one
CID 21478909
2-(Methylthio)-5-(trifluoroMethyl)pyriMidin-4(3H)-one
CID 118703441
2-Isopropylthiothymine
CID 558775

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one (CID 598411) is 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one is CCSc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MPXDEUQRWKVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-11-7-8-4-5(2)6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one?
2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 170.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 598411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).