(5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol

C5H10N2OS — CID 93495589

IUPAC(5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCSC1=NC[C@H](O)CN1
InChIInChI=1S/C5H10N2OS/c1-9-5-6-2-4(8)3-7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyAEVRGNMLULFMMR-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.33
Rot. Bonds

About (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol

(5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 93495589) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name(5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID93495589
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name(5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCSC1=NC[C@H](O)CN1
InChIInChI=1S/C5H10N2OS/c1-9-5-6-2-4(8)3-7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyAEVRGNMLULFMMR-UHFFFAOYSA-N
XLogP-0.33
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylthio-4-hydroxy-3,4,5,6-tetrahydropyrimidine hydriodide
CID 13404114
1,4,5,6-Tetrahydro-2-(methylthio)-5-pyrimidinol
CID 18721566
2-Ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
CID 20261899
2-(Ethylthio)-1,4,5,6-tetrahydro-5-pyrimidinol, hydrobromide
CID 131714394
2-(1-Methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 163948633
(2-Methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-yl)methanol
CID 177910988
4-Pyrimidinol, 1,4,5,6-tetrahydro-2-(methylthio)-
CID 13404113
methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate
CID 55287467
2-Prop-2-ynylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide
CID 132648300
2-Prop-2-ynylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
CID 132648301
2-[(5-Hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]propanenitrile
CID 164647904
2-(Butan-2-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 164647906

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol (CID 93495589) is (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol is CSC1=NC[C@H](O)CN1.
What is the InChIKey of (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is AEVRGNMLULFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-9-5-6-2-4(8)3-7-5/h4,8H,2-3H2,1H3,(H,6,7).
What are the key properties of (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
(5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 146.22 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 93495589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).