1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol

C24H29N7O2 — CID 71817799

IUPAC1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(NCc2ccc(-c3ccco3)nc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H29N7O2/c1-24(2,32)14-27-23-29-21(20-22(30-23)31(15-28-20)17-6-3-4-7-17)26-13-16-9-10-18(25-12-16)19-8-5-11-33-19/h5,8-12,15,17,32H,3-4,6-7,13-14H2,1-2H3,(H2,26,27,29,30)
InChIKeyUQACTWBIVHZYNE-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.39
Rot. Bonds8

About 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol

1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 71817799) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID71817799
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(NCc2ccc(-c3ccco3)nc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H29N7O2/c1-24(2,32)14-27-23-29-21(20-22(30-23)31(15-28-20)17-6-3-4-7-17)26-13-16-9-10-18(25-12-16)19-8-5-11-33-19/h5,8-12,15,17,32H,3-4,6-7,13-14H2,1-2H3,(H2,26,27,29,30)
InChIKeyUQACTWBIVHZYNE-UHFFFAOYSA-N
XLogP4.39
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol (CID 71817799) is 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(NCc2ccc(-c3ccco3)nc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is UQACTWBIVHZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-24(2,32)14-27-23-29-21(20-22(30-23)31(15-28-20)17-6-3-4-7-17)26-13-16-9-10-18(25-12-16)19-8-5-11-33-19/h5,8-12,15,17,32H,3-4,6-7,13-14H2,1-2H3,(H2,26,27,29,30).
What are the key properties of 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol?
1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 447.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 71817799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).