4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide

C24H24N6O — CID 117082380

IUPAC4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide
SMILESCC(C)n1cnc2c(Nc3ccccc3)nc(-c3ccc(C(=O)NC4CC4)cc3)nc21
InChIInChI=1S/C24H24N6O/c1-15(2)30-14-25-20-22(26-18-6-4-3-5-7-18)28-21(29-23(20)30)16-8-10-17(11-9-16)24(31)27-19-12-13-19/h3-11,14-15,19H,12-13H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyGLPNACBIUOORJY-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.71
Rot. Bonds6

About 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide

4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide (PubChem CID 117082380) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide
PubChem CID117082380
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide
SMILESCC(C)n1cnc2c(Nc3ccccc3)nc(-c3ccc(C(=O)NC4CC4)cc3)nc21
InChIInChI=1S/C24H24N6O/c1-15(2)30-14-25-20-22(26-18-6-4-3-5-7-18)28-21(29-23(20)30)16-8-10-17(11-9-16)24(31)27-19-12-13-19/h3-11,14-15,19H,12-13H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyGLPNACBIUOORJY-UHFFFAOYSA-N
XLogP4.71
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[6-(4-phenoxyanilino)-9-propan-2-ylpurin-2-yl]benzamide
CID 117079406
4-(6-anilino-9-phenylpurin-2-yl)-N-cyclopropylbenzamide
CID 117083781
[4-[6-(cyclopropylamino)-9-propan-2-ylpurin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117079597
4-[6-(benzylamino)-9-phenylpurin-2-yl]-N-cyclopropylbenzamide
CID 117086485
6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117080255
4-[6-(2-hydroxyethylamino)-9-propan-2-ylpurin-2-yl]benzamide
CID 117080355
2-iodo-N-phenyl-9-propan-2-ylpurin-6-amine
CID 11794083
1-[1-hydroxyethyl-[6-(4-phenylanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol
CID 54227456
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621
1-[3-[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]phenyl]ethanone
CID 117083990
4-[9-cyclohexyl-6-(4-phenoxyanilino)purin-2-yl]benzamide
CID 117093893
N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine
CID 25053058

Frequently Asked Questions

What is the IUPAC name of 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide?
The IUPAC name of 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide (CID 117082380) is 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide is CC(C)n1cnc2c(Nc3ccccc3)nc(-c3ccc(C(=O)NC4CC4)cc3)nc21.
What is the InChIKey of 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide?
The InChIKey is GLPNACBIUOORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-15(2)30-14-25-20-22(26-18-6-4-3-5-7-18)28-21(29-23(20)30)16-8-10-17(11-9-16)24(31)27-19-12-13-19/h3-11,14-15,19H,12-13H2,1-2H3,(H,27,31)(H,26,28,29).
What are the key properties of 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide?
4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide has a molecular weight of 412.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide is sourced from PubChem (CID 117082380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).