6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine

C13H17F3N6 — CID 167822538

IUPAC6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine
SMILESCCCC1CNCCN1c1nc(C(F)(F)F)nc2nc[nH]c12
InChIInChI=1S/C13H17F3N6/c1-2-3-8-6-17-4-5-22(8)11-9-10(19-7-18-9)20-12(21-11)13(14,15)16/h7-8,17H,2-6H2,1H3,(H,18,19,20,21)
InChIKeyZMQWQYLXXZOBDQ-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.95
Rot. Bonds3

About 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine

6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine (PubChem CID 167822538) has the molecular formula C13H17F3N6 and a molecular weight of 314.32 g/mol. Its IUPAC name is 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine.

Molecular Properties

Compound Name6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine
PubChem CID167822538
Molecular FormulaC13H17F3N6
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Name6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine
SMILESCCCC1CNCCN1c1nc(C(F)(F)F)nc2nc[nH]c12
InChIInChI=1S/C13H17F3N6/c1-2-3-8-6-17-4-5-22(8)11-9-10(19-7-18-9)20-12(21-11)13(14,15)16/h7-8,17H,2-6H2,1H3,(H,18,19,20,21)
InChIKeyZMQWQYLXXZOBDQ-UHFFFAOYSA-N
XLogP1.95
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-propan-2-ylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine
CID 167984508
6-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-7H-purine
CID 75460800
7-[2-(trifluoromethyl)-7H-purin-6-yl]-1-oxa-7-azaspiro[3.5]nonane
CID 138992024
1-phenyl-2-propylpiperazine
CID 70549920
6-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)-7H-purine
CID 119049699
6-(4-pyridazin-3-ylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine
CID 119049633
1-methylsulfonyl-4-[2-(trifluoromethyl)-7H-purin-6-yl]-3,5-dihydro-2H-1,4-benzodiazepine
CID 167877508
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine
CID 106796881
5-chloro-4-(2-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008146
4-[2-(trifluoromethyl)-7H-purin-6-yl]-1,8-dioxa-4-azaspiro[5.5]undecane
CID 138999119
6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-(trifluoromethyl)-7H-purine
CID 119041060
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987

Frequently Asked Questions

What is the IUPAC name of 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine?
The IUPAC name of 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine (CID 167822538) is 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine.
What is the SMILES notation for 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine?
The canonical SMILES for 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine is CCCC1CNCCN1c1nc(C(F)(F)F)nc2nc[nH]c12.
What is the InChIKey of 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine?
The InChIKey is ZMQWQYLXXZOBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6/c1-2-3-8-6-17-4-5-22(8)11-9-10(19-7-18-9)20-12(21-11)13(14,15)16/h7-8,17H,2-6H2,1H3,(H,18,19,20,21).
What are the key properties of 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine?
6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine has a molecular weight of 314.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propylpiperazin-1-yl)-2-(trifluoromethyl)-7H-purine is sourced from PubChem (CID 167822538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).