N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine

C27H20N4O — CID 3321417

IUPACN-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3cc(-c4ccccn4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C27H20N4O/c1-3-9-20(10-4-1)27-30-25(24-13-7-8-18-28-24)19-26(31-27)29-21-14-16-23(17-15-21)32-22-11-5-2-6-12-22/h1-19H,(H,29,30,31)
InChIKeyFBVWNUPOJFEJGA-UHFFFAOYSA-N
MW416.48 g/mol
LogP6.74
Rot. Bonds6

About N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine

N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 3321417) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID3321417
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC NameN-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3cc(-c4ccccn4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C27H20N4O/c1-3-9-20(10-4-1)27-30-25(24-13-7-8-18-28-24)19-26(31-27)29-21-14-16-23(17-15-21)32-22-11-5-2-6-12-22/h1-19H,(H,29,30,31)
InChIKeyFBVWNUPOJFEJGA-UHFFFAOYSA-N
XLogP6.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-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

2-phenyl-6-pyridin-2-yl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 3411544
N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3497943
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
2-(3-aminophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 66769396
N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3282642
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-[(2,6-diphenylpyrimidin-4-yl)amino]benzenethiol
CID 70841690
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine (CID 3321417) is N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine is c1ccc(Oc2ccc(Nc3cc(-c4ccccn4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is FBVWNUPOJFEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O/c1-3-9-20(10-4-1)27-30-25(24-13-7-8-18-28-24)19-26(31-27)29-21-14-16-23(17-15-21)32-22-11-5-2-6-12-22/h1-19H,(H,29,30,31).
What are the key properties of N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine?
N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 416.48 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 3321417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).