6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine

C12H11FN6O — CID 114841178

IUPAC6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(Nc2nc(N)nc3nc[nH]c23)ccc1F
InChIInChI=1S/C12H11FN6O/c1-20-8-4-6(2-3-7(8)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H4,14,15,16,17,18,19)
InChIKeyIODDKELBIWDQRL-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.83
Rot. Bonds3

About 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine

6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine (PubChem CID 114841178) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
PubChem CID114841178
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(Nc2nc(N)nc3nc[nH]c23)ccc1F
InChIInChI=1S/C12H11FN6O/c1-20-8-4-6(2-3-7(8)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H4,14,15,16,17,18,19)
InChIKeyIODDKELBIWDQRL-UHFFFAOYSA-N
XLogP1.83
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
6-N-(5-bromo-2-methoxyphenyl)-7H-purine-2,6-diamine
CID 114784409
6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine
CID 114785187
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
4-[(2-amino-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107795021
N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine
CID 10591280
2-N-(4-amino-3-methoxyphenyl)-6-N-methyl-7H-purine-2,6-diamine
CID 145496990
6-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purine-2,6-diamine
CID 86271803
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine (CID 114841178) is 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine is COc1cc(Nc2nc(N)nc3nc[nH]c23)ccc1F.
What is the InChIKey of 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine?
The InChIKey is IODDKELBIWDQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c1-20-8-4-6(2-3-7(8)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine?
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine has a molecular weight of 274.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114841178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).