4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine

C22H17ClN4O — CID 134154113

IUPAC4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine
SMILESNc1ccccc1Oc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H17ClN4O/c23-16-7-9-17(10-8-16)26-22-25-14-13-20(27-22)15-5-11-18(12-6-15)28-21-4-2-1-3-19(21)24/h1-14H,24H2,(H,25,26,27)
InChIKeyZTBPAUGWVBRIGW-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.92
Rot. Bonds5

About 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine

4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine (PubChem CID 134154113) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine
PubChem CID134154113
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine
SMILESNc1ccccc1Oc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H17ClN4O/c23-16-7-9-17(10-8-16)26-22-25-14-13-20(27-22)15-5-11-18(12-6-15)28-21-4-2-1-3-19(21)24/h1-14H,24H2,(H,25,26,27)
InChIKeyZTBPAUGWVBRIGW-UHFFFAOYSA-N
XLogP5.92
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine 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

4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 134155081
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide
CID 58716628
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
CID 69180348
4-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 11715896
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide
CID 58716815

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine (CID 134154113) is 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine is Nc1ccccc1Oc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine?
The InChIKey is ZTBPAUGWVBRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-16-7-9-17(10-8-16)26-22-25-14-13-20(27-22)15-5-11-18(12-6-15)28-21-4-2-1-3-19(21)24/h1-14H,24H2,(H,25,26,27).
What are the key properties of 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine?
4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine has a molecular weight of 388.86 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 134154113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).