3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol

C12H15ClN4O2 — CID 90897560

IUPAC3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol
SMILESOCCCc1nc2c(Cl)ncnc2n1C1CCCO1
InChIInChI=1S/C12H15ClN4O2/c13-11-10-12(15-7-14-11)17(9-4-2-6-19-9)8(16-10)3-1-5-18/h7,9,18H,1-6H2
InChIKeyRQFGZYUCSQIGGE-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.71
Rot. Bonds4

About 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol

3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol (PubChem CID 90897560) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol
PubChem CID90897560
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol
SMILESOCCCc1nc2c(Cl)ncnc2n1C1CCCO1
InChIInChI=1S/C12H15ClN4O2/c13-11-10-12(15-7-14-11)17(9-4-2-6-19-9)8(16-10)3-1-5-18/h7,9,18H,1-6H2
InChIKeyRQFGZYUCSQIGGE-UHFFFAOYSA-N
XLogP1.71
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
CID 146349551
[9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol
CID 25117696
(2S,3R,5S)-5-(8-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921648
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634
8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine
CID 153402974
(2R,3S,5R)-5-(6-amino-8-pentylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512596
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
6-chloro-9-cyclopropyl-8-methylpurine
CID 119027078
2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol
CID 102417514
3-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159557
8-chloro-6-(4-methylpent-3-en-1-ynyl)-9-(oxan-2-yl)purine
CID 101335393

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol?
The IUPAC name of 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol (CID 90897560) is 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol.
What is the SMILES notation for 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol?
The canonical SMILES for 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol is OCCCc1nc2c(Cl)ncnc2n1C1CCCO1.
What is the InChIKey of 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol?
The InChIKey is RQFGZYUCSQIGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-11-10-12(15-7-14-11)17(9-4-2-6-19-9)8(16-10)3-1-5-18/h7,9,18H,1-6H2.
What are the key properties of 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol?
3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol has a molecular weight of 282.73 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol is sourced from PubChem (CID 90897560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).