8-chloro-9-ethyl-2-(trifluoromethyl)purine

C8H6ClF3N4 — CID 141211515

IUPAC8-chloro-9-ethyl-2-(trifluoromethyl)purine
SMILESCCn1c(Cl)nc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C8H6ClF3N4/c1-2-16-5-4(14-7(16)9)3-13-6(15-5)8(10,11)12/h3H,2H2,1H3
InChIKeyLGRVVRPUWRJECQ-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.52
Rot. Bonds1

About 8-chloro-9-ethyl-2-(trifluoromethyl)purine

8-chloro-9-ethyl-2-(trifluoromethyl)purine (PubChem CID 141211515) has the molecular formula C8H6ClF3N4 and a molecular weight of 250.61 g/mol. Its IUPAC name is 8-chloro-9-ethyl-2-(trifluoromethyl)purine.

Molecular Properties

Compound Name8-chloro-9-ethyl-2-(trifluoromethyl)purine
PubChem CID141211515
Molecular FormulaC8H6ClF3N4
Molecular Weight250.61 g/mol
Exact Mass250.02
IUPAC Name8-chloro-9-ethyl-2-(trifluoromethyl)purine
SMILESCCn1c(Cl)nc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C8H6ClF3N4/c1-2-16-5-4(14-7(16)9)3-13-6(15-5)8(10,11)12/h3H,2H2,1H3
InChIKeyLGRVVRPUWRJECQ-UHFFFAOYSA-N
XLogP2.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-9-methyl-9H-purine
CID 7147173
Imidazo(1,5-a)pyrazin-8-amine
CID 55276043
2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
8-(Trifluoromethyl)-9H-purin-2-amine
CID 352873
2-Chloro-9-ethyl-9H-purin-6-amine
CID 23273738
2-Methyl-9H-purine
CID 70279
7H-Purine, 7-methyl-
CID 140372
9-methyl-9H-purine
CID 140687
1-Methyl-1H-purine
CID 21579713
2-chloro-7-methyl-7H-purine
CID 13032369
6-chloro-9-methyl-2-(trifluoromethyl)-9H-purine
CID 248525
8-Chloro-3-methylimidazo(1,5-a)pyrazine
CID 12240476

Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-ethyl-2-(trifluoromethyl)purine?
The IUPAC name of 8-chloro-9-ethyl-2-(trifluoromethyl)purine (CID 141211515) is 8-chloro-9-ethyl-2-(trifluoromethyl)purine.
What is the SMILES notation for 8-chloro-9-ethyl-2-(trifluoromethyl)purine?
The canonical SMILES for 8-chloro-9-ethyl-2-(trifluoromethyl)purine is CCn1c(Cl)nc2cnc(C(F)(F)F)nc21.
What is the InChIKey of 8-chloro-9-ethyl-2-(trifluoromethyl)purine?
The InChIKey is LGRVVRPUWRJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4/c1-2-16-5-4(14-7(16)9)3-13-6(15-5)8(10,11)12/h3H,2H2,1H3.
What are the key properties of 8-chloro-9-ethyl-2-(trifluoromethyl)purine?
8-chloro-9-ethyl-2-(trifluoromethyl)purine has a molecular weight of 250.61 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-ethyl-2-(trifluoromethyl)purine is sourced from PubChem (CID 141211515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).