6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine

C10H13ClN4O — CID 124639362

IUPAC6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine
SMILESClc1ncnc2c1NCN2[C@H]1CCCCO1
InChIInChI=1S/C10H13ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5,7,14H,1-4,6H2/t7-/m1/s1
InChIKeyURLCAVZGPKHDJM-SSDOTTSWSA-N
MW240.69 g/mol
LogP1.85
Rot. Bonds1

About 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine

6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine (PubChem CID 124639362) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine.

Molecular Properties

Compound Name6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine
PubChem CID124639362
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine
SMILESClc1ncnc2c1NCN2[C@H]1CCCCO1
InChIInChI=1S/C10H13ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5,7,14H,1-4,6H2/t7-/m1/s1
InChIKeyURLCAVZGPKHDJM-SSDOTTSWSA-N
XLogP1.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-9-(oxepan-2-yl)-7,8-dihydropurine
CID 143466436
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
CID 146349551
4-chloro-1-(oxan-2-yl)imidazole
CID 175285787
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541
4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine
CID 99609076
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
CID 63021701
4-(aziridin-1-yl)-1-[(2S)-oxan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 3246173
5-(oxan-2-yl)-1H-1,2,4-triazole
CID 91376030
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine?
The IUPAC name of 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine (CID 124639362) is 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine.
What is the SMILES notation for 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine?
The canonical SMILES for 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine is Clc1ncnc2c1NCN2[C@H]1CCCCO1.
What is the InChIKey of 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine?
The InChIKey is URLCAVZGPKHDJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5,7,14H,1-4,6H2/t7-/m1/s1.
What are the key properties of 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine?
6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine has a molecular weight of 240.69 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine is sourced from PubChem (CID 124639362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).