N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine

C22H17N3O — CID 117089637

IUPACN-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1
InChIInChI=1S/C22H17N3O/c1-3-7-17(8-4-1)21-15-22(24-16-23-21)25-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1-16H,(H,23,24,25)
InChIKeyFASUUJVIBDUCMK-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.68
Rot. Bonds5

About N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine

N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine (PubChem CID 117089637) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
PubChem CID117089637
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1
InChIInChI=1S/C22H17N3O/c1-3-7-17(8-4-1)21-15-22(24-16-23-21)25-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1-16H,(H,23,24,25)
InChIKeyFASUUJVIBDUCMK-UHFFFAOYSA-N
XLogP5.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 171989336
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
6-(1-benzothiophen-3-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 117089498
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
4-N-tert-butyl-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112863830
N-cyclohexa-1,5-dien-1-yl-6-(4-phenoxyphenyl)pyrimidin-4-amine
CID 173179855
N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3321417
N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium
CID 148670419
2-bromo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108766928

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine (CID 117089637) is N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine is c1ccc(Oc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine?
The InChIKey is FASUUJVIBDUCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-3-7-17(8-4-1)21-15-22(24-16-23-21)25-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1-16H,(H,23,24,25).
What are the key properties of N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine?
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 117089637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).