6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine

C18H20ClFN6 — CID 21493397

IUPAC6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine
SMILESFc1ccc(N2CCN(CCCn3cnc4c(Cl)ncnc43)CC2)cc1
InChIInChI=1S/C18H20ClFN6/c19-17-16-18(22-12-21-17)26(13-23-16)7-1-6-24-8-10-25(11-9-24)15-4-2-14(20)3-5-15/h2-5,12-13H,1,6-11H2
InChIKeyJHRQFIQGPQYGFJ-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.83
Rot. Bonds5

About 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine

6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine (PubChem CID 21493397) has the molecular formula C18H20ClFN6 and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine.

Molecular Properties

Compound Name6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine
PubChem CID21493397
Molecular FormulaC18H20ClFN6
Molecular Weight374.85 g/mol
Exact Mass374.14
IUPAC Name6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine
SMILESFc1ccc(N2CCN(CCCn3cnc4c(Cl)ncnc43)CC2)cc1
InChIInChI=1S/C18H20ClFN6/c19-17-16-18(22-12-21-17)26(13-23-16)7-1-6-24-8-10-25(11-9-24)15-4-2-14(20)3-5-15/h2-5,12-13H,1,6-11H2
InChIKeyJHRQFIQGPQYGFJ-UHFFFAOYSA-N
XLogP2.83
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Arprinocid
CID 41574
Cgp74514A
CID 2794188
Cruzain-IN-1
CID 44143088
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
T-808
CID 53339381
N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
CID 5327151
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine?
The IUPAC name of 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine (CID 21493397) is 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine.
What is the SMILES notation for 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine?
The canonical SMILES for 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine is Fc1ccc(N2CCN(CCCn3cnc4c(Cl)ncnc43)CC2)cc1.
What is the InChIKey of 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine?
The InChIKey is JHRQFIQGPQYGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN6/c19-17-16-18(22-12-21-17)26(13-23-16)7-1-6-24-8-10-25(11-9-24)15-4-2-14(20)3-5-15/h2-5,12-13H,1,6-11H2.
What are the key properties of 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine?
6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine has a molecular weight of 374.85 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine is sourced from PubChem (CID 21493397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).