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

C8H12N2OS — CID 588347

IUPAC5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2OS/c1-3-4-12-8-9-5-6(2)7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNHTAMNOBPJXCAB-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.58
Rot. Bonds3

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

5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one (PubChem CID 588347) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one
PubChem CID588347
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2OS/c1-3-4-12-8-9-5-6(2)7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNHTAMNOBPJXCAB-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4(1H)-Pyrimidinone, 2-(butylthio)-
CID 534218
2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile
CID 658007
2-butan-2-ylsulfanyl-1H-pyrimidin-6-one
CID 51041715
6-Amino-2-((2-methylallyl)thio)pyrimidin-4-ol
CID 135412468
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
2-(4,4-difluorobut-3-enylsulfanyl)-5-methyl-1H-pyrimidin-6-one
CID 21478909
2-Isopropylthiothymine
CID 558775
4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-
CID 588348
2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one
CID 598411

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one (CID 588347) is 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one is CCCSc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is NHTAMNOBPJXCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-4-12-8-9-5-6(2)7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one?
5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 184.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 588347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).