8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine

C24H19FN6O — CID 24810995

IUPAC8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine
SMILESCOc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H19FN6O/c1-32-18-13-11-16(12-14-18)27-23-26-15-21-22(30-23)31(17-7-3-2-4-8-17)24(29-21)28-20-10-6-5-9-19(20)25/h2-15H,1H3,(H,28,29)(H,26,27,30)
InChIKeyCCMGXJGEWZSKPA-UHFFFAOYSA-N
MW426.46 g/mol
LogP5.45
Rot. Bonds6

About 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine

8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine (PubChem CID 24810995) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine.

Molecular Properties

Compound Name8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine
PubChem CID24810995
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine
SMILESCOc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H19FN6O/c1-32-18-13-11-16(12-14-18)27-23-26-15-21-22(30-23)31(17-7-3-2-4-8-17)24(29-21)28-20-10-6-5-9-19(20)25/h2-15H,1H3,(H,28,29)(H,26,27,30)
InChIKeyCCMGXJGEWZSKPA-UHFFFAOYSA-N
XLogP5.45
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine 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-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
Anisiflupurin
CID 25169483
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538966
1-{6-[(4-ethoxyphenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538967
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine?
The IUPAC name of 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine (CID 24810995) is 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine.
What is the SMILES notation for 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine?
The canonical SMILES for 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine is COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine?
The InChIKey is CCMGXJGEWZSKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-32-18-13-11-16(12-14-18)27-23-26-15-21-22(30-23)31(17-7-3-2-4-8-17)24(29-21)28-20-10-6-5-9-19(20)25/h2-15H,1H3,(H,28,29)(H,26,27,30).
What are the key properties of 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine?
8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine has a molecular weight of 426.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine is sourced from PubChem (CID 24810995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).