6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine

C21H24N6 — CID 73320052

IUPAC6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
SMILESCC(=NNc1cc(-c2ccccc2N)nc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N6/c1-14(16-9-11-17(12-10-16)27(3)4)25-26-21-13-20(23-15(2)24-21)18-7-5-6-8-19(18)22/h5-13H,22H2,1-4H3,(H,23,24,26)
InChIKeyJRMRMQVTDRJOBT-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.94
Rot. Bonds5

About 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine

6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine (PubChem CID 73320052) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
PubChem CID73320052
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
SMILESCC(=NNc1cc(-c2ccccc2N)nc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N6/c1-14(16-9-11-17(12-10-16)27(3)4)25-26-21-13-20(23-15(2)24-21)18-7-5-6-8-19(18)22/h5-13H,22H2,1-4H3,(H,23,24,26)
InChIKeyJRMRMQVTDRJOBT-UHFFFAOYSA-N
XLogP3.94
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 72577519
6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846647
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
[4-[C-methyl-N-[(2-methyl-6-phenylpyrimidin-4-yl)amino]carbonimidoyl]phenyl]thiourea
CID 72577517
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013557
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846648
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 89355666
6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
CID 2842007
2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747547
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine (CID 73320052) is 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine is CC(=NNc1cc(-c2ccccc2N)nc(C)n1)c1ccc(N(C)C)cc1.
What is the InChIKey of 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
The InChIKey is JRMRMQVTDRJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-14(16-9-11-17(12-10-16)27(3)4)25-26-21-13-20(23-15(2)24-21)18-7-5-6-8-19(18)22/h5-13H,22H2,1-4H3,(H,23,24,26).
What are the key properties of 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine has a molecular weight of 360.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 73320052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).