2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine

C12H9ClFN5 — CID 104787295

IUPAC2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
SMILESCN(c1ccc(F)cc1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H9ClFN5/c1-19(8-4-2-7(14)3-5-8)11-9-10(16-6-15-9)17-12(13)18-11/h2-6H,1H3,(H,15,16,17,18)
InChIKeyYBUUCOGFDKAKOO-UHFFFAOYSA-N
MW277.69 g/mol
LogP2.91
Rot. Bonds2

About 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine

2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine (PubChem CID 104787295) has the molecular formula C12H9ClFN5 and a molecular weight of 277.69 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
PubChem CID104787295
Molecular FormulaC12H9ClFN5
Molecular Weight277.69 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
SMILESCN(c1ccc(F)cc1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H9ClFN5/c1-19(8-4-2-7(14)3-5-8)11-9-10(16-6-15-9)17-12(13)18-11/h2-6H,1H3,(H,15,16,17,18)
InChIKeyYBUUCOGFDKAKOO-UHFFFAOYSA-N
XLogP2.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-7H-purin-6-yl)-methylamino]benzonitrile
CID 104697441
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
CID 116688984
2-chloro-N-[1-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697597
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2,6-dichloro-7H-purine
CID 10750289
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine (CID 104787295) is 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine is CN(c1ccc(F)cc1)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine?
The InChIKey is YBUUCOGFDKAKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN5/c1-19(8-4-2-7(14)3-5-8)11-9-10(16-6-15-9)17-12(13)18-11/h2-6H,1H3,(H,15,16,17,18).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine?
2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine has a molecular weight of 277.69 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 104787295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).