2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol

C11H15N3OS — CID 175827215

IUPAC2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol
SMILESCSc1nccc(NC2CCC3CC32O)n1
InChIInChI=1S/C11H15N3OS/c1-16-10-12-5-4-9(14-10)13-8-3-2-7-6-11(7,8)15/h4-5,7-8,15H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyURDJOYYFBZDUEQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.52
Rot. Bonds3

About 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol

2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol (PubChem CID 175827215) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol.

Molecular Properties

Compound Name2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol
PubChem CID175827215
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol
SMILESCSc1nccc(NC2CCC3CC32O)n1
InChIInChI=1S/C11H15N3OS/c1-16-10-12-5-4-9(14-10)13-8-3-2-7-6-11(7,8)15/h4-5,7-8,15H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyURDJOYYFBZDUEQ-UHFFFAOYSA-N
XLogP1.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol?
The IUPAC name of 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol (CID 175827215) is 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol.
What is the SMILES notation for 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol?
The canonical SMILES for 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol is CSc1nccc(NC2CCC3CC32O)n1.
What is the InChIKey of 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol?
The InChIKey is URDJOYYFBZDUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-16-10-12-5-4-9(14-10)13-8-3-2-7-6-11(7,8)15/h4-5,7-8,15H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol?
2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylpyrimidin-4-yl)amino]bicyclo[3.1.0]hexan-1-ol is sourced from PubChem (CID 175827215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).