(2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol

C13H15N3O — CID 170955677

IUPAC(2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol
SMILESCc1ncncc1-c1ccc([C@@H](N)CO)cc1
InChIInChI=1S/C13H15N3O/c1-9-12(6-15-8-16-9)10-2-4-11(5-3-10)13(14)7-17/h2-6,8,13,17H,7,14H2,1H3/t13-/m0/s1
InChIKeyGZRPWHDZLPKYDS-ZDUSSCGKSA-N
MW229.28 g/mol
LogP1.44
Rot. Bonds3

About (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol

(2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol (PubChem CID 170955677) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol
PubChem CID170955677
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol
SMILESCc1ncncc1-c1ccc([C@@H](N)CO)cc1
InChIInChI=1S/C13H15N3O/c1-9-12(6-15-8-16-9)10-2-4-11(5-3-10)13(14)7-17/h2-6,8,13,17H,7,14H2,1H3/t13-/m0/s1
InChIKeyGZRPWHDZLPKYDS-ZDUSSCGKSA-N
XLogP1.44
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.44
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-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol (CID 170955677) is (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol is Cc1ncncc1-c1ccc([C@@H](N)CO)cc1.
What is the InChIKey of (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol?
The InChIKey is GZRPWHDZLPKYDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-12(6-15-8-16-9)10-2-4-11(5-3-10)13(14)7-17/h2-6,8,13,17H,7,14H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol?
(2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol has a molecular weight of 229.28 g/mol, XLogP of 1.44, 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-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol is sourced from PubChem (CID 170955677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).