2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol

C24H19Cl2N3O4 — CID 135651332

IUPAC2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol
SMILESCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1O
InChIInChI=1S/C24H19Cl2N3O4/c1-31-20-7-2-3-8-21(20)33-22-12-28-24(27)29-23(22)15-10-9-14(11-19(15)30)32-13-16-17(25)5-4-6-18(16)26/h2-12,30H,13H2,1H3,(H2,27,28,29)
InChIKeyFFDRFESGVDBQDO-UHFFFAOYSA-N
MW484.34 g/mol
LogP6.12
Rot. Bonds7

About 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol

2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol (PubChem CID 135651332) has the molecular formula C24H19Cl2N3O4 and a molecular weight of 484.34 g/mol. Its IUPAC name is 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol
PubChem CID135651332
Molecular FormulaC24H19Cl2N3O4
Molecular Weight484.34 g/mol
Exact Mass483.08
IUPAC Name2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol
SMILESCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1O
InChIInChI=1S/C24H19Cl2N3O4/c1-31-20-7-2-3-8-21(20)33-22-12-28-24(27)29-23(22)15-10-9-14(11-19(15)30)32-13-16-17(25)5-4-6-18(16)26/h2-12,30H,13H2,1H3,(H2,27,28,29)
InChIKeyFFDRFESGVDBQDO-UHFFFAOYSA-N
XLogP6.12
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.34
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 665714
2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
CID 2002675
2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
CID 3850926
5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
CID 135651610
2-[2-amino-5-(2-methoxyphenoxy)-6-methylpyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 665769
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 3647867
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol
CID 135652219
2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652265
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol
CID 135652427
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol?
The IUPAC name of 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol (CID 135651332) is 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol.
What is the SMILES notation for 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol?
The canonical SMILES for 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol is COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1O.
What is the InChIKey of 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol?
The InChIKey is FFDRFESGVDBQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O4/c1-31-20-7-2-3-8-21(20)33-22-12-28-24(27)29-23(22)15-10-9-14(11-19(15)30)32-13-16-17(25)5-4-6-18(16)26/h2-12,30H,13H2,1H3,(H2,27,28,29).
What are the key properties of 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol?
2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol has a molecular weight of 484.34 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol is sourced from PubChem (CID 135651332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).