N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine

C19H17ClN4 — CID 73320073

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
SMILESCC(=NNc1cc(-c2ccccc2)nc(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4/c1-13(15-8-10-17(20)11-9-15)23-24-19-12-18(21-14(2)22-19)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,24)
InChIKeyNZJQFGWLSDIJMJ-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.94
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine

N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine (PubChem CID 73320073) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
PubChem CID73320073
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
SMILESCC(=NNc1cc(-c2ccccc2)nc(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4/c1-13(15-8-10-17(20)11-9-15)23-24-19-12-18(21-14(2)22-19)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,24)
InChIKeyNZJQFGWLSDIJMJ-UHFFFAOYSA-N
XLogP4.94
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.94
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'}

Analyze N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine (CID 73320073) is N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine is CC(=NNc1cc(-c2ccccc2)nc(C)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is NZJQFGWLSDIJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-13(15-8-10-17(20)11-9-15)23-24-19-12-18(21-14(2)22-19)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 336.83 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 73320073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).