[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C11H14ClN3O2 — CID 137335242

IUPAC[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1(CO)C2CN(c3ncc(Cl)cn3)CC21
InChIInChI=1S/C11H14ClN3O2/c12-7-1-13-10(14-2-7)15-3-8-9(4-15)11(8,5-16)6-17/h1-2,8-9,16-17H,3-6H2
InChIKeyOKZABLNJYWEWTF-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.17
Rot. Bonds3

About [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 137335242) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID137335242
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1(CO)C2CN(c3ncc(Cl)cn3)CC21
InChIInChI=1S/C11H14ClN3O2/c12-7-1-13-10(14-2-7)15-3-8-9(4-15)11(8,5-16)6-17/h1-2,8-9,16-17H,3-6H2
InChIKeyOKZABLNJYWEWTF-UHFFFAOYSA-N
XLogP0.17
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 137335242) is [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1(CO)C2CN(c3ncc(Cl)cn3)CC21.
What is the InChIKey of [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is OKZABLNJYWEWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-7-1-13-10(14-2-7)15-3-8-9(4-15)11(8,5-16)6-17/h1-2,8-9,16-17H,3-6H2.
What are the key properties of [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 255.70 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 137335242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).