6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine

C17H16Cl2N4O — CID 59374577

IUPAC6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine
SMILESCc1nc(Cl)c2nc(-c3ccccc3Cl)n(CC3CCCO3)c2n1
InChIInChI=1S/C17H16Cl2N4O/c1-10-20-15(19)14-17(21-10)23(9-11-5-4-8-24-11)16(22-14)12-6-2-3-7-13(12)18/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyUBAIDUXWLPHWEK-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.29
Rot. Bonds3

About 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine

6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine (PubChem CID 59374577) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine.

Molecular Properties

Compound Name6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine
PubChem CID59374577
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine
SMILESCc1nc(Cl)c2nc(-c3ccccc3Cl)n(CC3CCCO3)c2n1
InChIInChI=1S/C17H16Cl2N4O/c1-10-20-15(19)14-17(21-10)23(9-11-5-4-8-24-11)16(22-14)12-6-2-3-7-13(12)18/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyUBAIDUXWLPHWEK-UHFFFAOYSA-N
XLogP4.29
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[[(2S)-oxolan-2-yl]methyl]purine
CID 59374652
2-(2-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazo[4,5-b]quinoxaline
CID 2017990
1-[6-chloro-8-(2-chlorophenyl)-2-methylpurin-9-yl]propane-1-thiol
CID 174676987
3-(2-chlorophenyl)-4-cyclopentyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazole
CID 84601796
3-(2-chlorophenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 1241902
2-(2-chlorophenyl)-4-[[5-(2-methylfuran-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19726019
2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 43337004
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199
2-(2-chlorophenyl)-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19725378
6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one
CID 24743293
2-(2-chlorophenyl)-4-[[5-(furan-2-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19724138
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine?
The IUPAC name of 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine (CID 59374577) is 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine.
What is the SMILES notation for 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine?
The canonical SMILES for 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine is Cc1nc(Cl)c2nc(-c3ccccc3Cl)n(CC3CCCO3)c2n1.
What is the InChIKey of 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine?
The InChIKey is UBAIDUXWLPHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-10-20-15(19)14-17(21-10)23(9-11-5-4-8-24-11)16(22-14)12-6-2-3-7-13(12)18/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine?
6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine has a molecular weight of 363.25 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine is sourced from PubChem (CID 59374577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).