6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

C26H34N6O — CID 89358334

IUPAC6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2ccc(C)c(C)c2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C26H34N6O/c1-5-14-32(15-6-2)25-18-24(19-28-31-23-11-10-20(3)21(4)17-23)29-26(30-25)33-16-12-22-9-7-8-13-27-22/h7-11,13,17-19,31H,5-6,12,14-16H2,1-4H3/b28-19+
InChIKeyIETAABFNHDQNJX-TURZUDJPSA-N
MW446.60 g/mol
LogP5.18
Rot. Bonds12

About 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 89358334) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID89358334
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2ccc(C)c(C)c2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C26H34N6O/c1-5-14-32(15-6-2)25-18-24(19-28-31-23-11-10-20(3)21(4)17-23)29-26(30-25)33-16-12-22-9-7-8-13-27-22/h7-11,13,17-19,31H,5-6,12,14-16H2,1-4H3/b28-19+
InChIKeyIETAABFNHDQNJX-TURZUDJPSA-N
XLogP5.18
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 89358334) is 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is CCCN(CCC)c1cc(/C=N/Nc2ccc(C)c(C)c2)nc(OCCc2ccccn2)n1.
What is the InChIKey of 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is IETAABFNHDQNJX-TURZUDJPSA-N. The full InChI is InChI=1S/C26H34N6O/c1-5-14-32(15-6-2)25-18-24(19-28-31-23-11-10-20(3)21(4)17-23)29-26(30-25)33-16-12-22-9-7-8-13-27-22/h7-11,13,17-19,31H,5-6,12,14-16H2,1-4H3/b28-19+.
What are the key properties of 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 446.60 g/mol, XLogP of 5.18, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 89358334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).