2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol

C15H20N4O3 — CID 19141234

IUPAC2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Oc2ccccc2OC)c1N
InChIInChI=1S/C15H20N4O3/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)22-12-7-5-4-6-11(12)21-2/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyGDGCHDXQRNHHAI-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.68
Rot. Bonds7

About 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol

2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 19141234) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
PubChem CID19141234
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Oc2ccccc2OC)c1N
InChIInChI=1S/C15H20N4O3/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)22-12-7-5-4-6-11(12)21-2/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyGDGCHDXQRNHHAI-UHFFFAOYSA-N
XLogP1.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol (CID 19141234) is 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol is CCN(CCO)c1ncnc(Oc2ccccc2OC)c1N.
What is the InChIKey of 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is GDGCHDXQRNHHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)22-12-7-5-4-6-11(12)21-2/h4-7,10,20H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol has a molecular weight of 304.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 19141234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).