4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one

C10H14N2O2S2 — CID 115385491

IUPAC4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2SCCSC2C)[nH]c1=O
InChIInChI=1S/C10H14N2O2S2/c1-5-9(13)11-8(12-10(5)14)7-6(2)15-3-4-16-7/h6-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyKQKSYZUVCJOEJK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.69
Rot. Bonds1

About 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one (PubChem CID 115385491) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one
PubChem CID115385491
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2SCCSC2C)[nH]c1=O
InChIInChI=1S/C10H14N2O2S2/c1-5-9(13)11-8(12-10(5)14)7-6(2)15-3-4-16-7/h6-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyKQKSYZUVCJOEJK-UHFFFAOYSA-N
XLogP1.69
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one (CID 115385491) is 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one is Cc1c(O)nc(C2SCCSC2C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KQKSYZUVCJOEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-5-9(13)11-8(12-10(5)14)7-6(2)15-3-4-16-7/h6-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one has a molecular weight of 258.37 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 115385491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).