2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine

C24H20ClN5 — CID 58065252

IUPAC2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H20ClN5/c1-17-7-9-18(10-8-17)16-26-30-23-15-22(19-5-3-2-4-6-19)28-24(29-23)27-21-13-11-20(25)12-14-21/h2-16H,1H3,(H2,27,28,29,30)/b26-16+
InChIKeyUIPAEDABUCYDBH-WGOQTCKBSA-N
MW413.91 g/mol
LogP6.30
Rot. Bonds6

About 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine (PubChem CID 58065252) has the molecular formula C24H20ClN5 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
PubChem CID58065252
Molecular FormulaC24H20ClN5
Molecular Weight413.91 g/mol
Exact Mass413.14
IUPAC Name2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H20ClN5/c1-17-7-9-18(10-8-17)16-26-30-23-15-22(19-5-3-2-4-6-19)28-24(29-23)27-21-13-11-20(25)12-14-21/h2-16H,1H3,(H2,27,28,29,30)/b26-16+
InChIKeyUIPAEDABUCYDBH-WGOQTCKBSA-N
XLogP6.30
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
4-N-(4-chlorophenyl)-6-(4-methylphenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065296
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938199
4-N-(4-chlorophenyl)-6-(2,6-difluorophenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065235
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
N-[(4-chlorophenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6790294
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937847
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine (CID 58065252) is 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine is Cc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is UIPAEDABUCYDBH-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H20ClN5/c1-17-7-9-18(10-8-17)16-26-30-23-15-22(19-5-3-2-4-6-19)28-24(29-23)27-21-13-11-20(25)12-14-21/h2-16H,1H3,(H2,27,28,29,30)/b26-16+.
What are the key properties of 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 413.91 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 58065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).