2-propan-2-ylsulfanyl-1H-pyrimidin-6-one

C7H10N2OS — CID 551057

IUPAC2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCC(C)Sc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-5(2)11-7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)
InChIKeyAXXVQEROTLLRBU-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.27
Rot. Bonds2

About 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one

2-propan-2-ylsulfanyl-1H-pyrimidin-6-one (PubChem CID 551057) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
PubChem CID551057
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCC(C)Sc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-5(2)11-7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)
InChIKeyAXXVQEROTLLRBU-UHFFFAOYSA-N
XLogP1.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one (CID 551057) is 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one is CC(C)Sc1nccc(=O)[nH]1.
What is the InChIKey of 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is AXXVQEROTLLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(2)11-7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10).
What are the key properties of 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
2-propan-2-ylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 170.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 551057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).