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

C24H25FN6O — CID 24810996

IUPAC9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine
SMILESCOc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C24H25FN6O/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/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyIPXACKINLSGATE-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.97
Rot. Bonds6

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

9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine (PubChem CID 24810996) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine.

Molecular Properties

Compound Name9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine
PubChem CID24810996
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine
SMILESCOc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C24H25FN6O/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/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyIPXACKINLSGATE-UHFFFAOYSA-N
XLogP5.97
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-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

Astemizole
CID 2247
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
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
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
Cyclohexyl-(2-phenoxy-9H-purin-6-yl)-amine
CID 11771279
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
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine?
The IUPAC name of 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine (CID 24810996) is 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine.
What is the SMILES notation for 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine?
The canonical SMILES for 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine is COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1.
What is the InChIKey of 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine?
The InChIKey is IPXACKINLSGATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/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/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,28,29)(H,26,27,30).
What are the key properties of 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine?
9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine has a molecular weight of 432.50 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine is sourced from PubChem (CID 24810996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).