N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

C26H19N5O — CID 3497943

IUPACN-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3cc(-c4cccnc4)nc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C26H19N5O/c1-2-6-22(7-3-1)32-23-10-8-21(9-11-23)29-25-17-24(20-5-4-14-28-18-20)30-26(31-25)19-12-15-27-16-13-19/h1-18H,(H,29,30,31)
InChIKeyDOUQCJBXXOZBNO-UHFFFAOYSA-N
MW417.47 g/mol
LogP6.14
Rot. Bonds6

About N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 3497943) has the molecular formula C26H19N5O and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID3497943
Molecular FormulaC26H19N5O
Molecular Weight417.47 g/mol
Exact Mass417.16
IUPAC NameN-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3cc(-c4cccnc4)nc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C26H19N5O/c1-2-6-22(7-3-1)32-23-10-8-21(9-11-23)29-25-17-24(20-5-4-14-28-18-20)30-26(31-25)19-12-15-27-16-13-19/h1-18H,(H,29,30,31)
InChIKeyDOUQCJBXXOZBNO-UHFFFAOYSA-N
XLogP6.14
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3282642
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3321417
N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677248
4-[(2,6-diphenylpyrimidin-4-yl)amino]benzenethiol
CID 70841690
N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3282641
2-(3-aminophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 66769396
N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (CID 3497943) is N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is c1ccc(Oc2ccc(Nc3cc(-c4cccnc4)nc(-c4ccncc4)n3)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is DOUQCJBXXOZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O/c1-2-6-22(7-3-1)32-23-10-8-21(9-11-23)29-25-17-24(20-5-4-14-28-18-20)30-26(31-25)19-12-15-27-16-13-19/h1-18H,(H,29,30,31).
What are the key properties of N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 417.47 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3497943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).