9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine

C23H23FN6 — CID 67574383

IUPAC9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine
SMILESCc1cccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)c1
InChIInChI=1S/C23H23FN6/c1-15-7-6-8-16(13-15)26-22-25-14-20-21(29-22)30(17-9-2-3-10-17)23(28-20)27-19-12-5-4-11-18(19)24/h4-8,11-14,17H,2-3,9-10H2,1H3,(H,27,28)(H,25,26,29)
InChIKeyOUGUONZNWLYSBO-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.88
Rot. Bonds5

About 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine

9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine (PubChem CID 67574383) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine.

Molecular Properties

Compound Name9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine
PubChem CID67574383
Molecular FormulaC23H23FN6
Molecular Weight402.48 g/mol
Exact Mass402.20
IUPAC Name9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine
SMILESCc1cccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)c1
InChIInChI=1S/C23H23FN6/c1-15-7-6-8-16(13-15)26-22-25-14-20-21(29-22)30(17-9-2-3-10-17)23(28-20)27-19-12-5-4-11-18(19)24/h4-8,11-14,17H,2-3,9-10H2,1H3,(H,27,28)(H,25,26,29)
InChIKeyOUGUONZNWLYSBO-UHFFFAOYSA-N
XLogP5.88
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-fluorophenyl)purine-2,8-diamine;methane
CID 159515846
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(2-methylpropyl)purine-2,8-diamine;methane
CID 158512271
2-N-(4-aminocyclohexyl)-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine
CID 57392289
2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine
CID 162191161
8-N-(4-bromo-2-fluorophenyl)-9-cyclopentyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]purine-2,8-diamine
CID 54761134
9-cyclopentyl-8-N-(3-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]purine-2,8-diamine;9-cyclopentyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-N-(3-nitrophenyl)purine-2,8-diamine
CID 157163357
ethane;9-(oxan-4-yl)-2-N-phenyl-8-N-(2,4,6-trifluorophenyl)purine-2,8-diamine
CID 168982679
4-[2-(cyclohexylmethyl)-8-(2-fluoroanilino)purin-9-yl]cyclohexan-1-ol
CID 157086612
4-[[8-(2,4-difluoroanilino)-9-(oxan-4-yl)purin-2-yl]amino]phenol
CID 59383919
N-(2-fluorophenyl)-2-(methylideneamino)-9-(oxan-4-yl)purin-8-amine
CID 123330394
8-N-(2-fluorophenyl)-2-N-(3-phenylpropyl)-9-piperidin-4-ylpurine-2,8-diamine;methane
CID 157125593
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine?
The IUPAC name of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine (CID 67574383) is 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine.
What is the SMILES notation for 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine?
The canonical SMILES for 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine is Cc1cccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)c1.
What is the InChIKey of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine?
The InChIKey is OUGUONZNWLYSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6/c1-15-7-6-8-16(13-15)26-22-25-14-20-21(29-22)30(17-9-2-3-10-17)23(28-20)27-19-12-5-4-11-18(19)24/h4-8,11-14,17H,2-3,9-10H2,1H3,(H,27,28)(H,25,26,29).
What are the key properties of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine?
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine has a molecular weight of 402.48 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine is sourced from PubChem (CID 67574383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).