2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol

C19H19N3O4 — CID 3850926

IUPAC2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c(O)c1
InChIInChI=1S/C19H19N3O4/c1-3-25-13-7-8-15(16(23)10-13)18-17(11-21-19(20)22-18)26-14-6-4-5-12(9-14)24-2/h4-11,23H,3H2,1-2H3,(H2,20,21,22)
InChIKeyMJXVNSUODWBDCR-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.63
Rot. Bonds6

About 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol

2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol (PubChem CID 3850926) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
PubChem CID3850926
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c(O)c1
InChIInChI=1S/C19H19N3O4/c1-3-25-13-7-8-15(16(23)10-13)18-17(11-21-19(20)22-18)26-14-6-4-5-12(9-14)24-2/h4-11,23H,3H2,1-2H3,(H2,20,21,22)
InChIKeyMJXVNSUODWBDCR-UHFFFAOYSA-N
XLogP3.63
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
The IUPAC name of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol (CID 3850926) is 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol is CCOc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
The InChIKey is MJXVNSUODWBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-25-13-7-8-15(16(23)10-13)18-17(11-21-19(20)22-18)26-14-6-4-5-12(9-14)24-2/h4-11,23H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol has a molecular weight of 353.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol is sourced from PubChem (CID 3850926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).