2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine

C14H15FN6 — CID 114783352

IUPAC2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2cc(C)ccc2F)c2[nH]cnc2n1
InChIInChI=1S/C14H15FN6/c1-3-16-14-20-12-11(17-7-18-12)13(21-14)19-10-6-8(2)4-5-9(10)15/h4-7H,3H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyOKUYKUHPSNYRBN-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.98
Rot. Bonds4

About 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine (PubChem CID 114783352) has the molecular formula C14H15FN6 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
PubChem CID114783352
Molecular FormulaC14H15FN6
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2cc(C)ccc2F)c2[nH]cnc2n1
InChIInChI=1S/C14H15FN6/c1-3-16-14-20-12-11(17-7-18-12)13(21-14)19-10-6-8(2)4-5-9(10)15/h4-7H,3H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyOKUYKUHPSNYRBN-UHFFFAOYSA-N
XLogP2.98
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
2-N-ethyl-6-N-(4-iodophenyl)-7H-purine-2,6-diamine
CID 114783435
2-N-ethyl-6-N-(3-iodophenyl)-7H-purine-2,6-diamine
CID 114783438
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine (CID 114783352) is 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine is CCNc1nc(Nc2cc(C)ccc2F)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine?
The InChIKey is OKUYKUHPSNYRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6/c1-3-16-14-20-12-11(17-7-18-12)13(21-14)19-10-6-8(2)4-5-9(10)15/h4-7H,3H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine has a molecular weight of 286.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114783352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).