2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine

C21H24FN5 — CID 162191161

IUPAC2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine
SMILESFc1ccccc1Nc1nc2cnc(CC3CCC3)nc2n1C1CCCC1
InChIInChI=1S/C21H24FN5/c22-16-10-3-4-11-17(16)24-21-25-18-13-23-19(12-14-6-5-7-14)26-20(18)27(21)15-8-1-2-9-15/h3-4,10-11,13-15H,1-2,5-9,12H2,(H,24,25)
InChIKeyZQHYPGSZSFJBMV-UHFFFAOYSA-N
MW365.46 g/mol
LogP5.17
Rot. Bonds5

About 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine

2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine (PubChem CID 162191161) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine
PubChem CID162191161
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine
SMILESFc1ccccc1Nc1nc2cnc(CC3CCC3)nc2n1C1CCCC1
InChIInChI=1S/C21H24FN5/c22-16-10-3-4-11-17(16)24-21-25-18-13-23-19(12-14-6-5-7-14)26-20(18)27(21)15-8-1-2-9-15/h3-4,10-11,13-15H,1-2,5-9,12H2,(H,24,25)
InChIKeyZQHYPGSZSFJBMV-UHFFFAOYSA-N
XLogP5.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(cyclohexylmethyl)-8-(2-fluoroanilino)purin-9-yl]cyclohexan-1-ol
CID 157086612
2-[(4-aminocyclohexyl)methyl]-N-(2-fluorophenyl)-9-(oxan-4-yl)purin-8-amine
CID 148812916
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-fluorophenyl)purine-2,8-diamine;methane
CID 159515846
(2R)-2-[2-(cyclohexylmethyl)-8-(2-fluoroanilino)purin-9-yl]butan-1-ol
CID 160676464
2-N-(4-aminocyclohexyl)-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine
CID 57392289
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(2-methylpropyl)purine-2,8-diamine;methane
CID 158512271
(4R)-1-[4-[8-(2-fluoroanilino)-2-[(4-hydroxycyclohexyl)methyl]purin-9-yl]cyclohexyl]-4,5-dihydroxypentan-1-one
CID 148888789
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine
CID 67574383
[4-[8-(2,4-difluoroanilino)-2-[(4-hydroxycyclohexyl)methyl]purin-9-yl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 146784670
4-[2-[(3-chlorophenyl)methyl]-8-(2-fluoroanilino)purin-9-yl]cyclohexan-1-ol
CID 159065694
N-[4-[8-(2-fluoroanilino)-2-[(4-methoxyphenyl)methyl]purin-9-yl]cyclohexyl]methanesulfonamide
CID 159963973
[4-[2-[(4-aminocyclohexyl)methyl]-8-(2,4-difluoroanilino)purin-9-yl]cyclohexyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 147494734

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine?
The IUPAC name of 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine (CID 162191161) is 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine.
What is the SMILES notation for 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine?
The canonical SMILES for 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine is Fc1ccccc1Nc1nc2cnc(CC3CCC3)nc2n1C1CCCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine?
The InChIKey is ZQHYPGSZSFJBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c22-16-10-3-4-11-17(16)24-21-25-18-13-23-19(12-14-6-5-7-14)26-20(18)27(21)15-8-1-2-9-15/h3-4,10-11,13-15H,1-2,5-9,12H2,(H,24,25).
What are the key properties of 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine?
2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine has a molecular weight of 365.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-9-cyclopentyl-N-(2-fluorophenyl)purin-8-amine is sourced from PubChem (CID 162191161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).