(2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide

C22H25N5O — CID 94006204

IUPAC(2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1
InChIInChI=1S/C22H25N5O/c1-22(2,3)14-9-10-18-16(13-14)19(15-7-4-5-8-17(15)25-18)20(28)26-27-21-23-11-6-12-24-21/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,26,28)(H,23,24,27)/t14-/m1/s1
InChIKeyDQNCUXSMTGCOAD-CQSZACIVSA-N
MW375.48 g/mol
LogP3.93
Rot. Bonds3

About (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide

(2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide (PubChem CID 94006204) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide.

Molecular Properties

Compound Name(2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
PubChem CID94006204
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1
InChIInChI=1S/C22H25N5O/c1-22(2,3)14-9-10-18-16(13-14)19(15-7-4-5-8-17(15)25-18)20(28)26-27-21-23-11-6-12-24-21/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,26,28)(H,23,24,27)/t14-/m1/s1
InChIKeyDQNCUXSMTGCOAD-CQSZACIVSA-N
XLogP3.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide 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 (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The IUPAC name of (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide (CID 94006204) is (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide.
What is the SMILES notation for (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The canonical SMILES for (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide is CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1.
What is the InChIKey of (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The InChIKey is DQNCUXSMTGCOAD-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2,3)14-9-10-18-16(13-14)19(15-7-4-5-8-17(15)25-18)20(28)26-27-21-23-11-6-12-24-21/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,26,28)(H,23,24,27)/t14-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
(2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide has a molecular weight of 375.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-N'-pyrimidin-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide is sourced from PubChem (CID 94006204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).