(2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol

C9H12ClN3O2 — CID 169119313

IUPAC(2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol
SMILESCOc1cnc(Cl)nc1N1C[C@@H](O)[C@H]1C
InChIInChI=1S/C9H12ClN3O2/c1-5-6(14)4-13(5)8-7(15-2)3-11-9(10)12-8/h3,5-6,14H,4H2,1-2H3/t5-,6-/m1/s1
InChIKeyNPNFXARFZOBERP-PHDIDXHHSA-N
MW229.67 g/mol
LogP0.71
Rot. Bonds2

About (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol

(2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol (PubChem CID 169119313) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol
PubChem CID169119313
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name(2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol
SMILESCOc1cnc(Cl)nc1N1C[C@@H](O)[C@H]1C
InChIInChI=1S/C9H12ClN3O2/c1-5-6(14)4-13(5)8-7(15-2)3-11-9(10)12-8/h3,5-6,14H,4H2,1-2H3/t5-,6-/m1/s1
InChIKeyNPNFXARFZOBERP-PHDIDXHHSA-N
XLogP0.71
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol?
The IUPAC name of (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol (CID 169119313) is (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol.
What is the SMILES notation for (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol?
The canonical SMILES for (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol is COc1cnc(Cl)nc1N1C[C@@H](O)[C@H]1C.
What is the InChIKey of (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol?
The InChIKey is NPNFXARFZOBERP-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-5-6(14)4-13(5)8-7(15-2)3-11-9(10)12-8/h3,5-6,14H,4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol?
(2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol has a molecular weight of 229.67 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-chloro-5-methoxypyrimidin-4-yl)-2-methylazetidin-3-ol is sourced from PubChem (CID 169119313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).