6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine

C18H19ClN4O — CID 139327350

IUPAC6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine
SMILESCOc1ccc(Cn2c(C3CCCC3)nc3c(Cl)ncnc32)cc1
InChIInChI=1S/C18H19ClN4O/c1-24-14-8-6-12(7-9-14)10-23-17(13-4-2-3-5-13)22-15-16(19)20-11-21-18(15)23/h6-9,11,13H,2-5,10H2,1H3
InChIKeyUPRJOZWKFUEGHL-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.19
Rot. Bonds4

About 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine

6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine (PubChem CID 139327350) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine.

Molecular Properties

Compound Name6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine
PubChem CID139327350
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine
SMILESCOc1ccc(Cn2c(C3CCCC3)nc3c(Cl)ncnc32)cc1
InChIInChI=1S/C18H19ClN4O/c1-24-14-8-6-12(7-9-14)10-23-17(13-4-2-3-5-13)22-15-16(19)20-11-21-18(15)23/h6-9,11,13H,2-5,10H2,1H3
InChIKeyUPRJOZWKFUEGHL-UHFFFAOYSA-N
XLogP4.19
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-8-ethyl-9-[(4-methoxyphenyl)methyl]purine
CID 22143694
7-chloro-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine
CID 11558158
6-chloro-8-[6-chloro-9-[(4-fluorophenyl)methyl]purin-8-yl]-9-[(4-fluorophenyl)methyl]purine
CID 46914412
3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
CID 24718780
2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 46888827
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
4-chloro-9-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrimido[4,5-b]indole
CID 118625590
5-[(4-chlorophenyl)methyl]-11-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523930
(5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 178042811
9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine
CID 101425056
9-benzyl-8-(4-methoxyphenyl)purin-6-amine
CID 102024707
4-chloro-6-cyclopropyl-8-[(4-methoxyphenyl)methyl]-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 134427795

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine?
The IUPAC name of 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine (CID 139327350) is 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine.
What is the SMILES notation for 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine?
The canonical SMILES for 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine is COc1ccc(Cn2c(C3CCCC3)nc3c(Cl)ncnc32)cc1.
What is the InChIKey of 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine?
The InChIKey is UPRJOZWKFUEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-24-14-8-6-12(7-9-14)10-23-17(13-4-2-3-5-13)22-15-16(19)20-11-21-18(15)23/h6-9,11,13H,2-5,10H2,1H3.
What are the key properties of 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine?
6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine has a molecular weight of 342.83 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-cyclopentyl-9-[(4-methoxyphenyl)methyl]purine is sourced from PubChem (CID 139327350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).