2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol

C18H17N3O2 — CID 135960816

IUPAC2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H17N3O2/c1-2-23-13-9-7-12(8-10-13)15-11-20-18(19)21-17(15)14-5-3-4-6-16(14)22/h3-11,22H,2H2,1H3,(H2,19,20,21)
InChIKeyCYYAPSPMQLAUOB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol

2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 135960816) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID135960816
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H17N3O2/c1-2-23-13-9-7-12(8-10-13)15-11-20-18(19)21-17(15)14-5-3-4-6-16(14)22/h3-11,22H,2H2,1H3,(H2,19,20,21)
InChIKeyCYYAPSPMQLAUOB-UHFFFAOYSA-N
XLogP3.50
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol 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-ethoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol (CID 135960816) is 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol is CCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is CYYAPSPMQLAUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-23-13-9-7-12(8-10-13)15-11-20-18(19)21-17(15)14-5-3-4-6-16(14)22/h3-11,22H,2H2,1H3,(H2,19,20,21).
What are the key properties of 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol?
2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 307.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).