6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine

C21H16F2N8 — CID 58368520

IUPAC6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C21H16F2N8/c1-10(28-20-18-19(26-9-25-18)29-21(24)30-20)14-8-15(23)13-5-6-27-31-17(13)16(14)11-3-2-4-12(22)7-11/h2-10H,1H3,(H4,24,25,26,28,29,30)
InChIKeyYLWZOEVJFMVFGY-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.00
Rot. Bonds4

About 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine

6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine (PubChem CID 58368520) has the molecular formula C21H16F2N8 and a molecular weight of 418.41 g/mol. Its IUPAC name is 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine
PubChem CID58368520
Molecular FormulaC21H16F2N8
Molecular Weight418.41 g/mol
Exact Mass418.15
IUPAC Name6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C21H16F2N8/c1-10(28-20-18-19(26-9-25-18)29-21(24)30-20)14-8-15(23)13-5-6-27-31-17(13)16(14)11-3-2-4-12(22)7-11/h2-10H,1H3,(H4,24,25,26,28,29,30)
InChIKeyYLWZOEVJFMVFGY-UHFFFAOYSA-N
XLogP4.00
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

4-amino-6-[[(1S)-1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 66558681
2-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one
CID 118630884
2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one
CID 118630908
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one
CID 66864069
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
CID 58368472
2-chloro-N-[1-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697603
6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623322
N-[1-[2-(3-chloro-5-fluorophenyl)-8-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76599383
N-[1-[3-(2-aminopyrimidin-5-yl)-5-fluoro-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine
CID 88536221

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine (CID 58368520) is 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine is CC(Nc1nc(N)nc2nc[nH]c12)c1cc(F)c2ccnnc2c1-c1cccc(F)c1.
What is the InChIKey of 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine?
The InChIKey is YLWZOEVJFMVFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N8/c1-10(28-20-18-19(26-9-25-18)29-21(24)30-20)14-8-15(23)13-5-6-27-31-17(13)16(14)11-3-2-4-12(22)7-11/h2-10H,1H3,(H4,24,25,26,28,29,30).
What are the key properties of 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine?
6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine has a molecular weight of 418.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 58368520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).