6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine

C24H23ClF2N6 — CID 170450183

IUPAC6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine
SMILESCC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1c1nc(Cl)nc2c1ncn2C
InChIInChI=1S/C24H23ClF2N6/c1-15-13-32(11-12-33(15)23-20-22(29-24(25)30-23)31(2)14-28-20)21(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,14-15,21H,11-13H2,1-2H3
InChIKeyWVASKVPYDYSYTN-UHFFFAOYSA-N
MW468.94 g/mol
LogP4.59
Rot. Bonds4

About 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine

6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine (PubChem CID 170450183) has the molecular formula C24H23ClF2N6 and a molecular weight of 468.94 g/mol. Its IUPAC name is 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine.

Molecular Properties

Compound Name6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine
PubChem CID170450183
Molecular FormulaC24H23ClF2N6
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine
SMILESCC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1c1nc(Cl)nc2c1ncn2C
InChIInChI=1S/C24H23ClF2N6/c1-15-13-32(11-12-33(15)23-20-22(29-24(25)30-23)31(2)14-28-20)21(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,14-15,21H,11-13H2,1-2H3
InChIKeyWVASKVPYDYSYTN-UHFFFAOYSA-N
XLogP4.59
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 170615235
2-[6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-hydrazinylpurin-9-yl]-N,N-dimethylethanamine
CID 177060998
6-[4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-8,9-dimethylpurine;ethane;oxolane
CID 170615267
7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine
CID 176717007
2-chloro-8,9-dimethyl-6-[2-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]purine
CID 177060280
6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3,8,9-trimethylpurin-2-one;ethane;oxolane
CID 176717082
2-chloro-6-[4-[(3,3-difluorocyclobutyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methylpiperazin-1-yl]-8,9-dimethylpurine
CID 170615361
4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-chlorothieno[3,2-d]pyrimidine
CID 170433786
7-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-chloro-3-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidine
CID 170435072
2-chloro-6-[(2S,5R)-4-[1-(4-fluorophenyl)-2-methylpropyl]-2,5-dimethylpiperazin-1-yl]-7H-purine
CID 170433217
2-chloro-6-[(5R)-4-[1-(3-chloro-4-fluorophenyl)-2-methylpropyl]-2,5-dimethylpiperazin-1-yl]-8,9-dimethylpurine
CID 170615368
1-[[6-[(5R)-4-[bis(4-chlorophenyl)methyl]-5-methyl-2-methylidenepiperazin-1-yl]-2-chloropurin-9-yl]methyl]cyclopentan-1-ol
CID 177060332

Frequently Asked Questions

What is the IUPAC name of 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine?
The IUPAC name of 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine (CID 170450183) is 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine.
What is the SMILES notation for 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine?
The canonical SMILES for 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine is CC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1c1nc(Cl)nc2c1ncn2C.
What is the InChIKey of 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine?
The InChIKey is WVASKVPYDYSYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N6/c1-15-13-32(11-12-33(15)23-20-22(29-24(25)30-23)31(2)14-28-20)21(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,14-15,21H,11-13H2,1-2H3.
What are the key properties of 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine?
6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine has a molecular weight of 468.94 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine is sourced from PubChem (CID 170450183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).