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

C15H20N4O3 — CID 19141235

IUPAC2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Oc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H20N4O3/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)22-12-6-4-11(21-2)5-7-12/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyDWKPUPIEVYKGRV-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.68
Rot. Bonds7

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

2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 19141235) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
PubChem CID19141235
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Oc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H20N4O3/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)22-12-6-4-11(21-2)5-7-12/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyDWKPUPIEVYKGRV-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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Related Compounds

2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141185
2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141234
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
2-[(5-amino-6-ethoxypyrimidin-4-yl)-(2-methoxyethyl)amino]ethanol
CID 113467648
2-[(5-amino-6-hydrazinylpyrimidin-4-yl)-ethylamino]ethanol
CID 19141155
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543636
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
3-[[5-amino-6-[ethyl(2-hydroxyethyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141084
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107708420
4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 22539877

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol (CID 19141235) is 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol is CCN(CCO)c1ncnc(Oc2ccc(OC)cc2)c1N.
What is the InChIKey of 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is DWKPUPIEVYKGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)22-12-6-4-11(21-2)5-7-12/h4-7,10,20H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
2-[[5-amino-6-(4-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-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 19141235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).