1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol

C25H30N6O2 — CID 73350612

IUPAC1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(NCc2ccc(-c3ccco3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C25H30N6O2/c1-25(2,32)15-27-24-29-22(21-23(30-24)31(16-28-21)19-6-3-4-7-19)26-14-17-9-11-18(12-10-17)20-8-5-13-33-20/h5,8-13,16,19,32H,3-4,6-7,14-15H2,1-2H3,(H2,26,27,29,30)
InChIKeyUEBJEAILSHGBPV-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.00
Rot. Bonds8

About 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol

1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 73350612) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID73350612
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(NCc2ccc(-c3ccco3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C25H30N6O2/c1-25(2,32)15-27-24-29-22(21-23(30-24)31(16-28-21)19-6-3-4-7-19)26-14-17-9-11-18(12-10-17)20-8-5-13-33-20/h5,8-13,16,19,32H,3-4,6-7,14-15H2,1-2H3,(H2,26,27,29,30)
InChIKeyUEBJEAILSHGBPV-UHFFFAOYSA-N
XLogP5.00
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
Roscovitine derivative 1
CID 73353575
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
1-[2-[6-Amino-8-(furan-2-yl)-9-prop-2-ynylpurin-2-yl]ethynyl]cyclohexan-1-ol
CID 89805044
6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine
CID 9858219
6-(Furan-2-yl)-9-[(3-methylphenyl)methyl]purin-2-amine
CID 9901100
6-Furan-2-yl-9-(4-isopropyl-benzyl)-9H-purin-2-ylamine
CID 9945542
6-(2-furyl)-9-(3-methoxybenzyl)-9H-purine-2-amine
CID 9966890
2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide
CID 10132473
N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide
CID 10132529

Frequently Asked Questions

What is the IUPAC name of 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol (CID 73350612) is 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(NCc2ccc(-c3ccco3)cc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is UEBJEAILSHGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-25(2,32)15-27-24-29-22(21-23(30-24)31(16-28-21)19-6-3-4-7-19)26-14-17-9-11-18(12-10-17)20-8-5-13-33-20/h5,8-13,16,19,32H,3-4,6-7,14-15H2,1-2H3,(H2,26,27,29,30).
What are the key properties of 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 446.56 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[9-cyclopentyl-6-[[4-(furan-2-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 73350612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).