(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol

C12H13N3O — CID 66514571

IUPAC(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol
SMILESN[C@@H](CO)c1ccccc1-c1cncnc1
InChIInChI=1S/C12H13N3O/c13-12(7-16)11-4-2-1-3-10(11)9-5-14-8-15-6-9/h1-6,8,12,16H,7,13H2/t12-/m0/s1
InChIKeyCEHRSTPMBDODOF-LBPRGKRZSA-N
MW215.26 g/mol
LogP1.14
Rot. Bonds3

About (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol

(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol (PubChem CID 66514571) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol
PubChem CID66514571
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol
SMILESN[C@@H](CO)c1ccccc1-c1cncnc1
InChIInChI=1S/C12H13N3O/c13-12(7-16)11-4-2-1-3-10(11)9-5-14-8-15-6-9/h1-6,8,12,16H,7,13H2/t12-/m0/s1
InChIKeyCEHRSTPMBDODOF-LBPRGKRZSA-N
XLogP1.14
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol (CID 66514571) is (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol is N[C@@H](CO)c1ccccc1-c1cncnc1.
What is the InChIKey of (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol?
The InChIKey is CEHRSTPMBDODOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(7-16)11-4-2-1-3-10(11)9-5-14-8-15-6-9/h1-6,8,12,16H,7,13H2/t12-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol?
(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol has a molecular weight of 215.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol is sourced from PubChem (CID 66514571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).