N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

C24H19FN4 — CID 5338840

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCN(/N=C/c1ccccc1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H19FN4/c1-29(26-17-20-14-8-9-15-21(20)25)24-27-22(18-10-4-2-5-11-18)16-23(28-24)19-12-6-3-7-13-19/h2-17H,1H3/b26-17+
InChIKeyPCQKUSDAWPDFHI-YZSQISJMSA-N
MW382.44 g/mol
LogP5.42
Rot. Bonds5

About N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (PubChem CID 5338840) has the molecular formula C24H19FN4 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
PubChem CID5338840
Molecular FormulaC24H19FN4
Molecular Weight382.44 g/mol
Exact Mass382.16
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCN(/N=C/c1ccccc1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H19FN4/c1-29(26-17-20-14-8-9-15-21(20)25)24-27-22(18-10-4-2-5-11-18)16-23(28-24)19-12-6-3-7-13-19/h2-17H,1H3/b26-17+
InChIKeyPCQKUSDAWPDFHI-YZSQISJMSA-N
XLogP5.42
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (CID 5338840) is N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is CN(/N=C/c1ccccc1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The InChIKey is PCQKUSDAWPDFHI-YZSQISJMSA-N. The full InChI is InChI=1S/C24H19FN4/c1-29(26-17-20-14-8-9-15-21(20)25)24-27-22(18-10-4-2-5-11-18)16-23(28-24)19-12-6-3-7-13-19/h2-17H,1H3/b26-17+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine has a molecular weight of 382.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 5338840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).