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

C22H27FN6 — CID 24811102

IUPAC2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine
SMILESFc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1
InChIInChI=1S/C22H27FN6/c23-17-12-6-7-13-18(17)26-22-27-19-14-24-21(25-15-8-2-1-3-9-15)28-20(19)29(22)16-10-4-5-11-16/h6-7,12-16H,1-5,8-11H2,(H,26,27)(H,24,25,28)
InChIKeyNGFCRLVABQTLPT-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.57
Rot. Bonds5

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

2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine (PubChem CID 24811102) has the molecular formula C22H27FN6 and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine
PubChem CID24811102
Molecular FormulaC22H27FN6
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine
SMILESFc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1
InChIInChI=1S/C22H27FN6/c23-17-12-6-7-13-18(17)26-22-27-19-14-24-21(25-15-8-2-1-3-9-15)28-20(19)29(22)16-10-4-5-11-16/h6-7,12-16H,1-5,8-11H2,(H,26,27)(H,24,25,28)
InChIKeyNGFCRLVABQTLPT-UHFFFAOYSA-N
XLogP5.57
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine?
The IUPAC name of 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine (CID 24811102) is 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine.
What is the SMILES notation for 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine?
The canonical SMILES for 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine is Fc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1.
What is the InChIKey of 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine?
The InChIKey is NGFCRLVABQTLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6/c23-17-12-6-7-13-18(17)26-22-27-19-14-24-21(25-15-8-2-1-3-9-15)28-20(19)29(22)16-10-4-5-11-16/h6-7,12-16H,1-5,8-11H2,(H,26,27)(H,24,25,28).
What are the key properties of 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine?
2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine has a molecular weight of 394.50 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine is sourced from PubChem (CID 24811102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).