(2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine

C5H7FN4 — CID 175797251

IUPAC(2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine
SMILESF[C@@H]1NC=C2NC=NC2N1
InChIInChI=1S/C5H7FN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2,4-5,7,10H,(H,8,9)/t4?,5-/m1/s1
InChIKeyPTLZPTDEJLBKPJ-BRJRFNKRSA-N
MW142.14 g/mol
LogP-0.77
Rot. Bonds

About (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine

(2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine (PubChem CID 175797251) has the molecular formula C5H7FN4 and a molecular weight of 142.14 g/mol. Its IUPAC name is (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine.

Molecular Properties

Compound Name(2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine
PubChem CID175797251
Molecular FormulaC5H7FN4
Molecular Weight142.14 g/mol
Exact Mass142.07
IUPAC Name(2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine
SMILESF[C@@H]1NC=C2NC=NC2N1
InChIInChI=1S/C5H7FN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2,4-5,7,10H,(H,8,9)/t4?,5-/m1/s1
InChIKeyPTLZPTDEJLBKPJ-BRJRFNKRSA-N
XLogP-0.77
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine?
The IUPAC name of (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine (CID 175797251) is (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine.
What is the SMILES notation for (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine?
The canonical SMILES for (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine is F[C@@H]1NC=C2NC=NC2N1.
What is the InChIKey of (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine?
The InChIKey is PTLZPTDEJLBKPJ-BRJRFNKRSA-N. The full InChI is InChI=1S/C5H7FN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2,4-5,7,10H,(H,8,9)/t4?,5-/m1/s1.
What are the key properties of (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine?
(2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine has a molecular weight of 142.14 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2,3,4,7-tetrahydro-1H-purine is sourced from PubChem (CID 175797251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).