2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine

C14H13N5O — CID 146553502

IUPAC2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine
SMILESCCc1ccc(C#Cc2nc(NC)c3[nH]cnc3n2)o1
InChIInChI=1S/C14H13N5O/c1-3-9-4-5-10(20-9)6-7-11-18-13(15-2)12-14(19-11)17-8-16-12/h4-5,8H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyRSHDIRZZUBWIEN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.95
Rot. Bonds2

About 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine

2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine (PubChem CID 146553502) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine
PubChem CID146553502
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine
SMILESCCc1ccc(C#Cc2nc(NC)c3[nH]cnc3n2)o1
InChIInChI=1S/C14H13N5O/c1-3-9-4-5-10(20-9)6-7-11-18-13(15-2)12-14(19-11)17-8-16-12/h4-5,8H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyRSHDIRZZUBWIEN-UHFFFAOYSA-N
XLogP1.95
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine 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

N-methyl-2-(methylaminomethyl)-7H-purin-6-amine
CID 59881619
N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
CID 11747563
2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 154249196
2-N-(4-amino-3-methoxyphenyl)-6-N-methyl-7H-purine-2,6-diamine
CID 145496990
5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 177331332
(2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(methylamino)-7H-purin-2-yl]oxolane-3,4-diol
CID 91194798
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
6-ethyl-2-methyl-7H-purine
CID 176927465
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine
CID 175656257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine?
The IUPAC name of 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine (CID 146553502) is 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine is CCc1ccc(C#Cc2nc(NC)c3[nH]cnc3n2)o1.
What is the InChIKey of 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine?
The InChIKey is RSHDIRZZUBWIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-3-9-4-5-10(20-9)6-7-11-18-13(15-2)12-14(19-11)17-8-16-12/h4-5,8H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine?
2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine has a molecular weight of 267.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethylfuran-2-yl)ethynyl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 146553502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).