6-N-fluoro-7H-purine-2,6-diamine

C5H5FN6 — CID 143836083

IUPAC6-N-fluoro-7H-purine-2,6-diamine
SMILESNc1nc(NF)c2[nH]cnc2n1
InChIInChI=1S/C5H5FN6/c6-12-4-2-3(9-1-8-2)10-5(7)11-4/h1H,(H4,7,8,9,10,11,12)
InChIKeyKSWPVGAOKKAXRQ-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.23
Rot. Bonds1

About 6-N-fluoro-7H-purine-2,6-diamine

6-N-fluoro-7H-purine-2,6-diamine (PubChem CID 143836083) has the molecular formula C5H5FN6 and a molecular weight of 168.14 g/mol. Its IUPAC name is 6-N-fluoro-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-fluoro-7H-purine-2,6-diamine
PubChem CID143836083
Molecular FormulaC5H5FN6
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Name6-N-fluoro-7H-purine-2,6-diamine
SMILESNc1nc(NF)c2[nH]cnc2n1
InChIInChI=1S/C5H5FN6/c6-12-4-2-3(9-1-8-2)10-5(7)11-4/h1H,(H4,7,8,9,10,11,12)
InChIKeyKSWPVGAOKKAXRQ-UHFFFAOYSA-N
XLogP0.23
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738

Frequently Asked Questions

What is the IUPAC name of 6-N-fluoro-7H-purine-2,6-diamine?
The IUPAC name of 6-N-fluoro-7H-purine-2,6-diamine (CID 143836083) is 6-N-fluoro-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-fluoro-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-fluoro-7H-purine-2,6-diamine is Nc1nc(NF)c2[nH]cnc2n1.
What is the InChIKey of 6-N-fluoro-7H-purine-2,6-diamine?
The InChIKey is KSWPVGAOKKAXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN6/c6-12-4-2-3(9-1-8-2)10-5(7)11-4/h1H,(H4,7,8,9,10,11,12).
What are the key properties of 6-N-fluoro-7H-purine-2,6-diamine?
6-N-fluoro-7H-purine-2,6-diamine has a molecular weight of 168.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-fluoro-7H-purine-2,6-diamine is sourced from PubChem (CID 143836083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).