N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine

C22H18N4O — CID 3378255

IUPACN-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccccc3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C22H18N4O/c1-27-19-11-9-18(10-12-19)24-21-14-20(16-6-3-2-4-7-16)25-22(26-21)17-8-5-13-23-15-17/h2-15H,1H3,(H,24,25,26)
InChIKeyMEKLRNQKDCZQFE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.96
Rot. Bonds5

About N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine

N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3378255) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID3378255
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccccc3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C22H18N4O/c1-27-19-11-9-18(10-12-19)24-21-14-20(16-6-3-2-4-7-16)25-22(26-21)17-8-5-13-23-15-17/h2-15H,1H3,(H,24,25,26)
InChIKeyMEKLRNQKDCZQFE-UHFFFAOYSA-N
XLogP4.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375
N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3497943
N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3282642
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
N-(5-methoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 10269879
4-[(2,6-diphenylpyrimidin-4-yl)amino]benzenethiol
CID 70841690
6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709
N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3321417

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine (CID 3378255) is N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine is COc1ccc(Nc2cc(-c3ccccc3)nc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is MEKLRNQKDCZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-27-19-11-9-18(10-12-19)24-21-14-20(16-6-3-2-4-7-16)25-22(26-21)17-8-5-13-23-15-17/h2-15H,1H3,(H,24,25,26).
What are the key properties of N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine?
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3378255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).