2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol

C14H17N3O3 — CID 107708420

IUPAC2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol
SMILESCCOc1ncnc(Oc2ccc(CCO)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-2-19-13-12(15)14(17-9-16-13)20-11-5-3-10(4-6-11)7-8-18/h3-6,9,18H,2,7-8,15H2,1H3
InChIKeyDXNIUFVKOBDUOM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol

2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol (PubChem CID 107708420) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol
PubChem CID107708420
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol
SMILESCCOc1ncnc(Oc2ccc(CCO)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-2-19-13-12(15)14(17-9-16-13)20-11-5-3-10(4-6-11)7-8-18/h3-6,9,18H,2,7-8,15H2,1H3
InChIKeyDXNIUFVKOBDUOM-UHFFFAOYSA-N
XLogP1.78
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167
4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine
CID 106485586
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141185
2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141235
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566343
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol (CID 107708420) is 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol is CCOc1ncnc(Oc2ccc(CCO)cc2)c1N.
What is the InChIKey of 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol?
The InChIKey is DXNIUFVKOBDUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-19-13-12(15)14(17-9-16-13)20-11-5-3-10(4-6-11)7-8-18/h3-6,9,18H,2,7-8,15H2,1H3.
What are the key properties of 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol?
2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol has a molecular weight of 275.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 107708420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).