6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine

C13H13FN6 — CID 104623147

IUPAC6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
SMILESCN(Cc1ccccc1F)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C13H13FN6/c1-20(6-8-4-2-3-5-9(8)14)12-10-11(17-7-16-10)18-13(15)19-12/h2-5,7H,6H2,1H3,(H3,15,16,17,18,19)
InChIKeyBANGMIMIQZWARX-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.71
Rot. Bonds3

About 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine

6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine (PubChem CID 104623147) has the molecular formula C13H13FN6 and a molecular weight of 272.29 g/mol. Its IUPAC name is 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
PubChem CID104623147
Molecular FormulaC13H13FN6
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
SMILESCN(Cc1ccccc1F)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C13H13FN6/c1-20(6-8-4-2-3-5-9(8)14)12-10-11(17-7-16-10)18-13(15)19-12/h2-5,7H,6H2,1H3,(H3,15,16,17,18,19)
InChIKeyBANGMIMIQZWARX-UHFFFAOYSA-N
XLogP1.71
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)-7H-purin-6-amine
CID 167742916
6-N,6-N-bis(furan-2-ylmethyl)-7H-purine-2,6-diamine
CID 75505978

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine (CID 104623147) is 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine is CN(Cc1ccccc1F)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The InChIKey is BANGMIMIQZWARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6/c1-20(6-8-4-2-3-5-9(8)14)12-10-11(17-7-16-10)18-13(15)19-12/h2-5,7H,6H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine has a molecular weight of 272.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 104623147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).