6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine

C13H12ClFN6 — CID 114783285

IUPAC6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(F)cc2Cl)c2[nH]cnc2n1
InChIInChI=1S/C13H12ClFN6/c1-2-16-13-20-11-10(17-6-18-11)12(21-13)19-9-4-3-7(15)5-8(9)14/h3-6H,2H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyRZIDLXCRTOYPSD-UHFFFAOYSA-N
MW306.73 g/mol
LogP3.32
Rot. Bonds4

About 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine

6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 114783285) has the molecular formula C13H12ClFN6 and a molecular weight of 306.73 g/mol. Its IUPAC name is 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID114783285
Molecular FormulaC13H12ClFN6
Molecular Weight306.73 g/mol
Exact Mass306.08
IUPAC Name6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(F)cc2Cl)c2[nH]cnc2n1
InChIInChI=1S/C13H12ClFN6/c1-2-16-13-20-11-10(17-6-18-11)12(21-13)19-9-4-3-7(15)5-8(9)14/h3-6H,2H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyRZIDLXCRTOYPSD-UHFFFAOYSA-N
XLogP3.32
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
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-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine (CID 114783285) is 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine is CCNc1nc(Nc2ccc(F)cc2Cl)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is RZIDLXCRTOYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN6/c1-2-16-13-20-11-10(17-6-18-11)12(21-13)19-9-4-3-7(15)5-8(9)14/h3-6H,2H2,1H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine?
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 306.73 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).