2-methylsulfanyl-1H-pyrimidin-2-ol

C5H8N2OS — CID 70385143

IUPAC2-methylsulfanyl-1H-pyrimidin-2-ol
SMILESCSC1(O)N=CC=CN1
InChIInChI=1S/C5H8N2OS/c1-9-5(8)6-3-2-4-7-5/h2-4,6,8H,1H3
InChIKeyDOGLQBAGFNPSQG-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.14
Rot. Bonds1

About 2-methylsulfanyl-1H-pyrimidin-2-ol

2-methylsulfanyl-1H-pyrimidin-2-ol (PubChem CID 70385143) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-methylsulfanyl-1H-pyrimidin-2-ol.

Molecular Properties

Compound Name2-methylsulfanyl-1H-pyrimidin-2-ol
PubChem CID70385143
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name2-methylsulfanyl-1H-pyrimidin-2-ol
SMILESCSC1(O)N=CC=CN1
InChIInChI=1S/C5H8N2OS/c1-9-5(8)6-3-2-4-7-5/h2-4,6,8H,1H3
InChIKeyDOGLQBAGFNPSQG-UHFFFAOYSA-N
XLogP0.14
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1H-pyrimidin-2-ol?
The IUPAC name of 2-methylsulfanyl-1H-pyrimidin-2-ol (CID 70385143) is 2-methylsulfanyl-1H-pyrimidin-2-ol.
What is the SMILES notation for 2-methylsulfanyl-1H-pyrimidin-2-ol?
The canonical SMILES for 2-methylsulfanyl-1H-pyrimidin-2-ol is CSC1(O)N=CC=CN1.
What is the InChIKey of 2-methylsulfanyl-1H-pyrimidin-2-ol?
The InChIKey is DOGLQBAGFNPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-9-5(8)6-3-2-4-7-5/h2-4,6,8H,1H3.
What are the key properties of 2-methylsulfanyl-1H-pyrimidin-2-ol?
2-methylsulfanyl-1H-pyrimidin-2-ol has a molecular weight of 144.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1H-pyrimidin-2-ol is sourced from PubChem (CID 70385143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).