5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C10H16N2OS — CID 135418927

IUPAC5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(SC)[nH]c1=O
InChIInChI=1S/C10H16N2OS/c1-4-5-6-8-7(2)11-10(14-3)12-9(8)13/h4-6H2,1-3H3,(H,11,12,13)
InChIKeyGRWDINNHBZLASE-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.14
Rot. Bonds4

About 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135418927) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135418927
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(SC)[nH]c1=O
InChIInChI=1S/C10H16N2OS/c1-4-5-6-8-7(2)11-10(14-3)12-9(8)13/h4-6H2,1-3H3,(H,11,12,13)
InChIKeyGRWDINNHBZLASE-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135418927) is 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(SC)[nH]c1=O.
What is the InChIKey of 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is GRWDINNHBZLASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-6-8-7(2)11-10(14-3)12-9(8)13/h4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 212.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).