N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

C25H21IN4 — CID 3099335

IUPACN-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCC(=NN(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(I)cc1
InChIInChI=1S/C25H21IN4/c1-18(19-13-15-22(26)16-14-19)29-30(2)25-27-23(20-9-5-3-6-10-20)17-24(28-25)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyIJEKLVWMEVRVPI-UHFFFAOYSA-N
MW504.38 g/mol
LogP6.28
Rot. Bonds5

About N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (PubChem CID 3099335) has the molecular formula C25H21IN4 and a molecular weight of 504.38 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
PubChem CID3099335
Molecular FormulaC25H21IN4
Molecular Weight504.38 g/mol
Exact Mass504.08
IUPAC NameN-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCC(=NN(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(I)cc1
InChIInChI=1S/C25H21IN4/c1-18(19-13-15-22(26)16-14-19)29-30(2)25-27-23(20-9-5-3-6-10-20)17-24(28-25)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyIJEKLVWMEVRVPI-UHFFFAOYSA-N
XLogP6.28
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.38
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 5338840
2-[(Z)-N-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]-methylamino]-C-methylcarbonimidoyl]phenol
CID 135933071
4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
CID 135421596
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol;ethene
CID 145418854
N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837773
N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338885
1-methyl-1-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 780059
4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
CID 2842182
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (CID 3099335) is N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is CC(=NN(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The InChIKey is IJEKLVWMEVRVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21IN4/c1-18(19-13-15-22(26)16-14-19)29-30(2)25-27-23(20-9-5-3-6-10-20)17-24(28-25)21-11-7-4-8-12-21/h3-17H,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine has a molecular weight of 504.38 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 3099335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).