6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

C22H24N6O — CID 66681684

IUPAC6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCc1cccc(C=NNc2cc(N3CCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C22H24N6O/c1-17-6-4-7-18(14-17)16-24-27-20-15-21(28-11-5-12-28)26-22(25-20)29-13-9-19-8-2-3-10-23-19/h2-4,6-8,10,14-16H,5,9,11-13H2,1H3,(H,25,26,27)
InChIKeyCJXNCHCXHYRBFF-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.46
Rot. Bonds8

About 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 66681684) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID66681684
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCc1cccc(C=NNc2cc(N3CCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C22H24N6O/c1-17-6-4-7-18(14-17)16-24-27-20-15-21(28-11-5-12-28)26-22(25-20)29-13-9-19-8-2-3-10-23-19/h2-4,6-8,10,14-16H,5,9,11-13H2,1H3,(H,25,26,27)
InChIKeyCJXNCHCXHYRBFF-UHFFFAOYSA-N
XLogP3.46
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.46
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-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-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-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 66681684) is 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is Cc1cccc(C=NNc2cc(N3CCC3)nc(OCCc3ccccn3)n2)c1.
What is the InChIKey of 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is CJXNCHCXHYRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17-6-4-7-18(14-17)16-24-27-20-15-21(28-11-5-12-28)26-22(25-20)29-13-9-19-8-2-3-10-23-19/h2-4,6-8,10,14-16H,5,9,11-13H2,1H3,(H,25,26,27).
What are the key properties of 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 388.48 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 66681684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).