N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine

C29H24N4O2 — CID 3590375

IUPACN-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cncc(-c4ccc(OC)cc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C29H24N4O2/c1-34-25-12-8-20(9-13-25)22-16-23(19-30-18-22)27-17-28(31-24-10-14-26(35-2)15-11-24)33-29(32-27)21-6-4-3-5-7-21/h3-19H,1-2H3,(H,31,32,33)
InChIKeyJMRGAKLFVGKXBC-UHFFFAOYSA-N
MW460.54 g/mol
LogP6.63
Rot. Bonds7

About N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine

N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine (PubChem CID 3590375) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
PubChem CID3590375
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC NameN-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cncc(-c4ccc(OC)cc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C29H24N4O2/c1-34-25-12-8-20(9-13-25)22-16-23(19-30-18-22)27-17-28(31-24-10-14-26(35-2)15-11-24)33-29(32-27)21-6-4-3-5-7-21/h3-19H,1-2H3,(H,31,32,33)
InChIKeyJMRGAKLFVGKXBC-UHFFFAOYSA-N
XLogP6.63
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 56.63
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
2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677248
2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3590842
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3497943
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-benzyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 3507207
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine (CID 3590375) is N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine is COc1ccc(Nc2cc(-c3cncc(-c4ccc(OC)cc4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The InChIKey is JMRGAKLFVGKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-34-25-12-8-20(9-13-25)22-16-23(19-30-18-22)27-17-28(31-24-10-14-26(35-2)15-11-24)33-29(32-27)21-6-4-3-5-7-21/h3-19H,1-2H3,(H,31,32,33).
What are the key properties of N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine has a molecular weight of 460.54 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 3590375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).