4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol

C22H27FN6O — CID 57390519

IUPAC4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)
InChIKeyYVQKIQSJMFGJEG-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.54
Rot. Bonds5

About 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol

4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol (PubChem CID 57390519) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
PubChem CID57390519
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)
InChIKeyYVQKIQSJMFGJEG-UHFFFAOYSA-N
XLogP4.54
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

CC-930
CID 11597537
Fadraciclib
CID 24983461
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
CID 12111413
4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-imidazol-1-yl]-cyclohexanol
CID 22464120
N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 90183560
2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
CID 131953498
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
(3R,4S)-3-fluoro-1-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 90183870
(3R,4R)-4-fluoro-1-[6-fluoro-1-[(5-fluoropyrimidin-2-yl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155193884

Frequently Asked Questions

What is the IUPAC name of 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol (CID 57390519) is 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is YVQKIQSJMFGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28).
What are the key properties of 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol?
4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 410.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 57390519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).