4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine

C23H18N4O2 — CID 59104297

IUPAC4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)nc(N)n3)c2)cc1
InChIInChI=1S/C23H18N4O2/c1-15-5-7-16(8-6-15)18-3-2-4-19(13-18)22-14-21(25-23(24)26-22)17-9-11-20(12-10-17)27(28)29/h2-14H,1H3,(H2,24,25,26)
InChIKeyHTLHWADYVDEIQL-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.28
Rot. Bonds4

About 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine

4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine (PubChem CID 59104297) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine
PubChem CID59104297
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)nc(N)n3)c2)cc1
InChIInChI=1S/C23H18N4O2/c1-15-5-7-16(8-6-15)18-3-2-4-19(13-18)22-14-21(25-23(24)26-22)17-9-11-20(12-10-17)27(28)29/h2-14H,1H3,(H2,24,25,26)
InChIKeyHTLHWADYVDEIQL-UHFFFAOYSA-N
XLogP5.28
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-[6-methyl-2-(4-nitrophenyl)quinolin-4-yl]aniline
CID 155387923
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
4-methyl-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 138661699
4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile
CID 20537539
4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine
CID 139472451
4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine (CID 59104297) is 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine is Cc1ccc(-c2cccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)nc(N)n3)c2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine?
The InChIKey is HTLHWADYVDEIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15-5-7-16(8-6-15)18-3-2-4-19(13-18)22-14-21(25-23(24)26-22)17-9-11-20(12-10-17)27(28)29/h2-14H,1H3,(H2,24,25,26).
What are the key properties of 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine?
4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine has a molecular weight of 382.42 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 59104297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).