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

C25H32N6O — CID 89332198

IUPAC6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2cccc(C)c2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C25H32N6O/c1-4-14-31(15-5-2)24-18-23(19-27-30-22-11-8-9-20(3)17-22)28-25(29-24)32-16-12-21-10-6-7-13-26-21/h6-11,13,17-19,30H,4-5,12,14-16H2,1-3H3/b27-19+
InChIKeyKFTKWZMTSWLCME-ZXVVBBHZSA-N
MW432.57 g/mol
LogP4.87
Rot. Bonds12

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

6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 89332198) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID89332198
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2cccc(C)c2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C25H32N6O/c1-4-14-31(15-5-2)24-18-23(19-27-30-22-11-8-9-20(3)17-22)28-25(29-24)32-16-12-21-10-6-7-13-26-21/h6-11,13,17-19,30H,4-5,12,14-16H2,1-3H3/b27-19+
InChIKeyKFTKWZMTSWLCME-ZXVVBBHZSA-N
XLogP4.87
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.87
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'}

Analyze 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-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 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 89332198) is 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is CCCN(CCC)c1cc(/C=N/Nc2cccc(C)c2)nc(OCCc2ccccn2)n1.
What is the InChIKey of 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is KFTKWZMTSWLCME-ZXVVBBHZSA-N. The full InChI is InChI=1S/C25H32N6O/c1-4-14-31(15-5-2)24-18-23(19-27-30-22-11-8-9-20(3)17-22)28-25(29-24)32-16-12-21-10-6-7-13-26-21/h6-11,13,17-19,30H,4-5,12,14-16H2,1-3H3/b27-19+.
What are the key properties of 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 432.57 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 89332198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).