6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine

C15H13Cl2N5O — CID 59374647

IUPAC6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine
SMILESCc1nc(Cl)c2nc(-c3cnccc3Cl)n([C@@H]3CCOC3)c2n1
InChIInChI=1S/C15H13Cl2N5O/c1-8-19-13(17)12-15(20-8)22(9-3-5-23-7-9)14(21-12)10-6-18-4-2-11(10)16/h2,4,6,9H,3,5,7H2,1H3/t9-/m1/s1
InChIKeyDCJJSWFELWNKNZ-SECBINFHSA-N
MW350.21 g/mol
LogP3.46
Rot. Bonds2

About 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine

6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine (PubChem CID 59374647) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine.

Molecular Properties

Compound Name6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine
PubChem CID59374647
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine
SMILESCc1nc(Cl)c2nc(-c3cnccc3Cl)n([C@@H]3CCOC3)c2n1
InChIInChI=1S/C15H13Cl2N5O/c1-8-19-13(17)12-15(20-8)22(9-3-5-23-7-9)14(21-12)10-6-18-4-2-11(10)16/h2,4,6,9H,3,5,7H2,1H3/t9-/m1/s1
InChIKeyDCJJSWFELWNKNZ-SECBINFHSA-N
XLogP3.46
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine?
The IUPAC name of 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine (CID 59374647) is 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine.
What is the SMILES notation for 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine?
The canonical SMILES for 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine is Cc1nc(Cl)c2nc(-c3cnccc3Cl)n([C@@H]3CCOC3)c2n1.
What is the InChIKey of 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine?
The InChIKey is DCJJSWFELWNKNZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-8-19-13(17)12-15(20-8)22(9-3-5-23-7-9)14(21-12)10-6-18-4-2-11(10)16/h2,4,6,9H,3,5,7H2,1H3/t9-/m1/s1.
What are the key properties of 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine?
6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine has a molecular weight of 350.21 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-chloro-3-pyridinyl)-2-methyl-9-[(3R)-oxolan-3-yl]purine is sourced from PubChem (CID 59374647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).