2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine

C8H6F5N5 — CID 87990472

IUPAC2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
SMILESNc1nc(CC(F)(F)C(F)(F)F)nc2nc[nH]c12
InChIInChI=1S/C8H6F5N5/c9-7(10,8(11,12)13)1-3-17-5(14)4-6(18-3)16-2-15-4/h2H,1H2,(H3,14,15,16,17,18)
InChIKeyDVGRUDBSLCPSBV-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.68
Rot. Bonds2

About 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine

2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine (PubChem CID 87990472) has the molecular formula C8H6F5N5 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
PubChem CID87990472
Molecular FormulaC8H6F5N5
Molecular Weight267.16 g/mol
Exact Mass267.05
IUPAC Name2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
SMILESNc1nc(CC(F)(F)C(F)(F)F)nc2nc[nH]c12
InChIInChI=1S/C8H6F5N5/c9-7(10,8(11,12)13)1-3-17-5(14)4-6(18-3)16-2-15-4/h2H,1H2,(H3,14,15,16,17,18)
InChIKeyDVGRUDBSLCPSBV-UHFFFAOYSA-N
XLogP1.68
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-7H-purin-6-amine
CID 19795383
2-benzyl-7H-purin-6-amine
CID 15986830
2-octyl-7H-purin-6-amine
CID 139890933
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
CID 20566205
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521
2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
CID 141058722
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005
2-tert-butyl-7H-purin-6-amine
CID 21493394
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine
CID 140539645
2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine
CID 153326115
1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol
CID 155490354

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine (CID 87990472) is 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine is Nc1nc(CC(F)(F)C(F)(F)F)nc2nc[nH]c12.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine?
The InChIKey is DVGRUDBSLCPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N5/c9-7(10,8(11,12)13)1-3-17-5(14)4-6(18-3)16-2-15-4/h2H,1H2,(H3,14,15,16,17,18).
What are the key properties of 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine?
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine has a molecular weight of 267.16 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine is sourced from PubChem (CID 87990472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).