4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one

C7H10N2O2S — CID 114578908

IUPAC4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(SCCO)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-5-8-6(11)4-7(9-5)12-3-2-10/h4,10H,2-3H2,1H3,(H,8,9,11)
InChIKeyAPJDGOZBZPYJOV-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.16
Rot. Bonds3

About 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one

4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 114578908) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID114578908
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(SCCO)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-5-8-6(11)4-7(9-5)12-3-2-10/h4,10H,2-3H2,1H3,(H,8,9,11)
InChIKeyAPJDGOZBZPYJOV-UHFFFAOYSA-N
XLogP0.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
CID 136123480
2-[(Methylsulfanyl)methyl]pyrimidine-4,6-diol
CID 13827579
2-(Bis(ethylthio)methyl)pyrimidine-4,6-diol
CID 57964867
2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 65130665
2-Methyl-6-(methylthio)-4(1H)-pyrimidinone
CID 133614478
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate
CID 173547629
methyl (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)methylsulfanylformate
CID 23825806
4-hydroxy-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65129460
2-(tert-butylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 65133242
4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65134849
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 65136797
4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65138400

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one (CID 114578908) is 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(SCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is APJDGOZBZPYJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-8-6(11)4-7(9-5)12-3-2-10/h4,10H,2-3H2,1H3,(H,8,9,11).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one?
4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 186.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114578908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).