4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one

C9H14N2O2S — CID 65134850

IUPAC4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CSC(C)C)[nH]c1=O
InChIInChI=1S/C9H14N2O2S/c1-5(2)14-4-7-10-8(12)6(3)9(13)11-7/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeySJDGSRJLLIZDOF-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.43
Rot. Bonds3

About 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 65134850) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID65134850
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CSC(C)C)[nH]c1=O
InChIInChI=1S/C9H14N2O2S/c1-5(2)14-4-7-10-8(12)6(3)9(13)11-7/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeySJDGSRJLLIZDOF-UHFFFAOYSA-N
XLogP1.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one (CID 65134850) is 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CSC(C)C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is SJDGSRJLLIZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5(2)14-4-7-10-8(12)6(3)9(13)11-7/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 214.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).