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

C19H19N3O3 — CID 3756871

IUPAC2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-3-25-14-8-9-15(17(23)10-14)18-16(11-21-19(20)22-18)12-4-6-13(24-2)7-5-12/h4-11,23H,3H2,1-2H3,(H2,20,21,22)
InChIKeyKWXXZZLVJJOBGP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.51
Rot. Bonds5

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

2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol (PubChem CID 3756871) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
PubChem CID3756871
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-3-25-14-8-9-15(17(23)10-14)18-16(11-21-19(20)22-18)12-4-6-13(24-2)7-5-12/h4-11,23H,3H2,1-2H3,(H2,20,21,22)
InChIKeyKWXXZZLVJJOBGP-UHFFFAOYSA-N
XLogP3.51
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol?
The IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol (CID 3756871) is 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol is CCOc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol?
The InChIKey is KWXXZZLVJJOBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-14-8-9-15(17(23)10-14)18-16(11-21-19(20)22-18)12-4-6-13(24-2)7-5-12/h4-11,23H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol?
2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol has a molecular weight of 337.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol is sourced from PubChem (CID 3756871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).