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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-chlorophenyl)-6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methyl-9-[(3R)-oxolan-3-yl]purine
CID 59374609
2-[8-(2-chlorophenyl)-2-methyl-9-(oxolan-3-yl)purin-6-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;hydrochloride
CID 68604878
2-[8-(2-chlorophenyl)-2-methyl-9-[(3S)-oxolan-3-yl]purin-6-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;hydrochloride
CID 68604984
6-chloro-8-(3-methoxyphenyl)-2-methyl-9-(oxan-4-yl)purine
CID 59374569
1-[4-[8-(2-cyclopropylphenyl)-2-methyl-9-[(3S)-oxolan-3-yl]purin-6-yl]piperazin-1-yl]ethanone
CID 59374554
1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-amine
CID 80712502
3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine
CID 154819013
2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxolan-3-yl)-8-[2-(trifluoromethoxy)phenyl]purine
CID 68604955
1-[4-[2-methyl-9-(oxolan-3-yl)-8-[2-(trifluoromethyl)phenyl]purin-6-yl]piperazin-1-yl]ethanone
CID 68605512
8-(4-methoxy-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[(3R)-oxolan-3-yl]purine
CID 59374574
6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine
CID 59374577
1-(oxolan-3-yl)-1,6-naphthyridin-2-one
CID 154465710

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).