N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine

C24H20N4 — CID 2842306

IUPACN-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H20N4/c1-18-12-14-21(15-13-18)23-16-22(20-10-6-3-7-11-20)26-24(27-23)28-25-17-19-8-4-2-5-9-19/h2-17H,1H3,(H,26,27,28)
InChIKeyYQPVLHCPDQXFTE-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.57
Rot. Bonds5

About N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine

N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine (PubChem CID 2842306) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
PubChem CID2842306
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC NameN-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H20N4/c1-18-12-14-21(15-13-18)23-16-22(20-10-6-3-7-11-20)26-24(27-23)28-25-17-19-8-4-2-5-9-19/h2-17H,1H3,(H,26,27,28)
InChIKeyYQPVLHCPDQXFTE-UHFFFAOYSA-N
XLogP5.57
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 154071636
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
CID 58065252
N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338887
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 2842336
N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842180
N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide
CID 44721589
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine (CID 2842306) is N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine is Cc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccccc3)n2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
The InChIKey is YQPVLHCPDQXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-18-12-14-21(15-13-18)23-16-22(20-10-6-3-7-11-20)26-24(27-23)28-25-17-19-8-4-2-5-9-19/h2-17H,1H3,(H,26,27,28).
What are the key properties of N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 2842306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).