3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol

C25H31N7O2 — CID 129068397

IUPAC3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol
SMILESCCC(Nc1nc(NCc2ccc(-c3ccoc3)nc2)c2ncn(C3CCCC3)c2n1)C(C)O
InChIInChI=1S/C25H31N7O2/c1-3-20(16(2)33)29-25-30-23(22-24(31-25)32(15-28-22)19-6-4-5-7-19)27-13-17-8-9-21(26-12-17)18-10-11-34-14-18/h8-12,14-16,19-20,33H,3-7,13H2,1-2H3,(H2,27,29,30,31)
InChIKeyOOIVRRPEKANGFA-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.78
Rot. Bonds9

About 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol

3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol (PubChem CID 129068397) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol
PubChem CID129068397
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol
SMILESCCC(Nc1nc(NCc2ccc(-c3ccoc3)nc2)c2ncn(C3CCCC3)c2n1)C(C)O
InChIInChI=1S/C25H31N7O2/c1-3-20(16(2)33)29-25-30-23(22-24(31-25)32(15-28-22)19-6-4-5-7-19)27-13-17-8-9-21(26-12-17)18-10-11-34-14-18/h8-12,14-16,19-20,33H,3-7,13H2,1-2H3,(H2,27,29,30,31)
InChIKeyOOIVRRPEKANGFA-UHFFFAOYSA-N
XLogP4.78
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-3-[[9-cyclopentyl-6-[(6-thiophen-3-yl-3-pyridinyl)methylamino]purin-2-yl]amino]pentan-2-ol
CID 90332776
3-[[6-[[4-(2-aminophenyl)phenyl]methylamino]-9-cyclopentylpurin-2-yl]amino]pentan-2-ol
CID 90332676
9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
CID 90332579
3-[[6-[(2-amino-5-iodophenyl)methylamino]-9-cyclohexylpurin-2-yl]amino]pentan-2-ol
CID 67002024
4-[[9-cyclopentyl-6-[[4-(furan-3-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylbutan-2-ol
CID 90332900
2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 154441598
1-[[9-cyclopentyl-6-[(6-thiophen-3-yl-3-pyridinyl)methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
CID 90332593
9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 141410278
3-[[9-propan-2-yl-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol
CID 71053736
4-[[9-cyclopentyl-6-[(6-thiophen-3-yl-3-pyridinyl)methylamino]purin-2-yl]amino]-2-methylbutan-2-ol
CID 90332872
4-[[9-cyclopentyl-6-[[6-(3-fluorophenyl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylbutan-2-ol
CID 90332690
3-[[9-cyclopentyl-6-[[6-(3-fluorophenyl)-3-pyridinyl]methylamino]purin-2-yl]amino]propan-1-ol
CID 118589979

Frequently Asked Questions

What is the IUPAC name of 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol?
The IUPAC name of 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol (CID 129068397) is 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol.
What is the SMILES notation for 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol?
The canonical SMILES for 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol is CCC(Nc1nc(NCc2ccc(-c3ccoc3)nc2)c2ncn(C3CCCC3)c2n1)C(C)O.
What is the InChIKey of 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol?
The InChIKey is OOIVRRPEKANGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-3-20(16(2)33)29-25-30-23(22-24(31-25)32(15-28-22)19-6-4-5-7-19)27-13-17-8-9-21(26-12-17)18-10-11-34-14-18/h8-12,14-16,19-20,33H,3-7,13H2,1-2H3,(H2,27,29,30,31).
What are the key properties of 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol?
3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol has a molecular weight of 461.57 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol is sourced from PubChem (CID 129068397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).