N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane

C13H16BrN5O — CID 142220729

IUPACN-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane
SMILESCC.Cc1nc(NCc2coc(Br)c2)c2[nH]cnc2n1
InChIInChI=1S/C11H10BrN5O.C2H6/c1-6-16-10(9-11(17-6)15-5-14-9)13-3-7-2-8(12)18-4-7;1-2/h2,4-5H,3H2,1H3,(H2,13,14,15,16,17);1-2H3
InChIKeyMGYRJHQHXGTSQB-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.66
Rot. Bonds3

About N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane

N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane (PubChem CID 142220729) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane.

Molecular Properties

Compound NameN-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane
PubChem CID142220729
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC NameN-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane
SMILESCC.Cc1nc(NCc2coc(Br)c2)c2[nH]cnc2n1
InChIInChI=1S/C11H10BrN5O.C2H6/c1-6-16-10(9-11(17-6)15-5-14-9)13-3-7-2-8(12)18-4-7;1-2/h2,4-5H,3H2,1H3,(H2,13,14,15,16,17);1-2H3
InChIKeyMGYRJHQHXGTSQB-UHFFFAOYSA-N
XLogP3.66
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane 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

2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine
CID 118317169
N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine
CID 154596530
N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
CID 67967892
6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-7H-purin-6-amine
CID 113442692
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
2-chloro-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine
CID 167800154
6-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purine-2,6-diamine
CID 86271803
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 117084695
2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine
CID 167746406

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane?
The IUPAC name of N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane (CID 142220729) is N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane.
What is the SMILES notation for N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane?
The canonical SMILES for N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane is CC.Cc1nc(NCc2coc(Br)c2)c2[nH]cnc2n1.
What is the InChIKey of N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane?
The InChIKey is MGYRJHQHXGTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O.C2H6/c1-6-16-10(9-11(17-6)15-5-14-9)13-3-7-2-8(12)18-4-7;1-2/h2,4-5H,3H2,1H3,(H2,13,14,15,16,17);1-2H3.
What are the key properties of N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane?
N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane has a molecular weight of 338.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane is sourced from PubChem (CID 142220729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).