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

C18H17N3O4 — CID 665808

IUPAC2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1cccc(Oc2cnc(N)nc2-c2ccc(OC)cc2O)c1
InChIInChI=1S/C18H17N3O4/c1-23-11-4-3-5-13(8-11)25-16-10-20-18(19)21-17(16)14-7-6-12(24-2)9-15(14)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyPYBOOANVVNTMPL-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.24
Rot. Bonds5

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

2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 665808) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID665808
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1cccc(Oc2cnc(N)nc2-c2ccc(OC)cc2O)c1
InChIInChI=1S/C18H17N3O4/c1-23-11-4-3-5-13(8-11)25-16-10-20-18(19)21-17(16)14-7-6-12(24-2)9-15(14)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyPYBOOANVVNTMPL-UHFFFAOYSA-N
XLogP3.24
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-Chlorophenyl)-2-methylpyrimidin-4-yl]-5-methoxyphenol
CID 1966704
2-[5-(4-Chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 1996860
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
CID 4895475
2-(2-Amino-5-(4-chlorophenyl)pyrimidin-4-yl)-5-methoxyphenol
CID 3747532
2-(2-Amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
CID 764017
2-(5-(2-Methoxyphenyl)pyrimidin-4-yl)-5-((2-methylallyl)oxy)phenol
CID 1842405
2-[2-Amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol
CID 2000582
2-[2-Amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 4896012
2-(5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl)-5-methoxyphenol
CID 4971528
2-[2-Amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 665723
5-Methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol
CID 665819
5-Ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
CID 665821

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol (CID 665808) is 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol is COc1cccc(Oc2cnc(N)nc2-c2ccc(OC)cc2O)c1.
What is the InChIKey of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is PYBOOANVVNTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-11-4-3-5-13(8-11)25-16-10-20-18(19)21-17(16)14-7-6-12(24-2)9-15(14)22/h3-10,22H,1-2H3,(H2,19,20,21).
What are the key properties of 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 339.35 g/mol, XLogP of 3.24, 5 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-methoxyphenol is sourced from PubChem (CID 665808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).