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

C18H17N3O3 — CID 665723

IUPAC2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyCKQBIKHXMSBFTE-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.12
Rot. Bonds4

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

2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 665723) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID665723
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyCKQBIKHXMSBFTE-UHFFFAOYSA-N
XLogP3.12
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol (CID 665723) is 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2O)cc1.
What is the InChIKey of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is CKQBIKHXMSBFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21).
What are the key properties of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 323.35 g/mol, XLogP of 3.12, 4 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-methoxyphenol is sourced from PubChem (CID 665723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).