(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol

C15H19N3O2 — CID 51943081

IUPAC(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1[C@@H](O)CNc1cc(C)nc(C)n1
InChIInChI=1S/C15H19N3O2/c1-10-8-15(18-11(2)17-10)16-9-13(19)12-6-4-5-7-14(12)20-3/h4-8,13,19H,9H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyHRXZESLZNRHHAX-ZDUSSCGKSA-N
MW273.34 g/mol
LogP2.25
Rot. Bonds5

About (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol

(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol (PubChem CID 51943081) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol
PubChem CID51943081
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1[C@@H](O)CNc1cc(C)nc(C)n1
InChIInChI=1S/C15H19N3O2/c1-10-8-15(18-11(2)17-10)16-9-13(19)12-6-4-5-7-14(12)20-3/h4-8,13,19H,9H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyHRXZESLZNRHHAX-ZDUSSCGKSA-N
XLogP2.25
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol?
The IUPAC name of (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol (CID 51943081) is (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol is COc1ccccc1[C@@H](O)CNc1cc(C)nc(C)n1.
What is the InChIKey of (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol?
The InChIKey is HRXZESLZNRHHAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-8-15(18-11(2)17-10)16-9-13(19)12-6-4-5-7-14(12)20-3/h4-8,13,19H,9H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol?
(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol has a molecular weight of 273.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 51943081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).