2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one

C8H12N2OS — CID 13330683

IUPAC2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1cnc(SC)[nH]c1=O
InChIInChI=1S/C8H12N2OS/c1-3-4-6-5-9-8(12-2)10-7(6)11/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyXZSBYOPGQZIWKD-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.44
Rot. Bonds3

About 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one

2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 13330683) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one
PubChem CID13330683
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1cnc(SC)[nH]c1=O
InChIInChI=1S/C8H12N2OS/c1-3-4-6-5-9-8(12-2)10-7(6)11/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyXZSBYOPGQZIWKD-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one (CID 13330683) is 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one is CCCc1cnc(SC)[nH]c1=O.
What is the InChIKey of 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is XZSBYOPGQZIWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-4-6-5-9-8(12-2)10-7(6)11/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one?
2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 184.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 13330683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).