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

C23H20N4O2 — CID 134155081

IUPAC4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4N)cc3)n2)cc1
InChIInChI=1S/C23H20N4O2/c1-28-18-12-8-17(9-13-18)26-23-25-15-14-21(27-23)16-6-10-19(11-7-16)29-22-5-3-2-4-20(22)24/h2-15H,24H2,1H3,(H,25,26,27)
InChIKeyBFXVEZYWDOPAMK-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.27
Rot. Bonds6

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

4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 134155081) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID134155081
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4N)cc3)n2)cc1
InChIInChI=1S/C23H20N4O2/c1-28-18-12-8-17(9-13-18)26-23-25-15-14-21(27-23)16-6-10-19(11-7-16)29-22-5-3-2-4-20(22)24/h2-15H,24H2,1H3,(H,25,26,27)
InChIKeyBFXVEZYWDOPAMK-UHFFFAOYSA-N
XLogP5.27
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-aminophenoxy)phenyl]-N-(4-chlorophenyl)pyrimidin-2-amine
CID 134154113
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14346981
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 58974655
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine (CID 134155081) is 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4N)cc3)n2)cc1.
What is the InChIKey of 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is BFXVEZYWDOPAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-28-18-12-8-17(9-13-18)26-23-25-15-14-21(27-23)16-6-10-19(11-7-16)29-22-5-3-2-4-20(22)24/h2-15H,24H2,1H3,(H,25,26,27).
What are the key properties of 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 384.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 134155081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).