4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one

C15H18N2OS — CID 135537907

IUPAC4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)c(CSc2nc(C)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C15H18N2OS/c1-9-5-10(2)13(11(3)6-9)8-19-15-16-12(4)7-14(18)17-15/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyYAGDBCRTYPMDMJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one

4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135537907) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135537907
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)c(CSc2nc(C)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C15H18N2OS/c1-9-5-10(2)13(11(3)6-9)8-19-15-16-12(4)7-14(18)17-15/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyYAGDBCRTYPMDMJ-UHFFFAOYSA-N
XLogP3.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135537907) is 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(C)c(CSc2nc(C)cc(=O)[nH]2)c(C)c1.
What is the InChIKey of 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is YAGDBCRTYPMDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-5-10(2)13(11(3)6-9)8-19-15-16-12(4)7-14(18)17-15/h5-7H,8H2,1-4H3,(H,16,17,18).
What are the key properties of 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 274.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135537907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).