6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine

C11H10ClN5O — CID 171679860

IUPAC6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine
SMILESCC(Nc1nc(Cl)c2[nH]cnc2n1)c1ccoc1
InChIInChI=1S/C11H10ClN5O/c1-6(7-2-3-18-4-7)15-11-16-9(12)8-10(17-11)14-5-13-8/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKeyYYCXFAXZUNCXEQ-UHFFFAOYSA-N
MW263.69 g/mol
LogP2.77
Rot. Bonds3

About 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine

6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine (PubChem CID 171679860) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine
PubChem CID171679860
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine
SMILESCC(Nc1nc(Cl)c2[nH]cnc2n1)c1ccoc1
InChIInChI=1S/C11H10ClN5O/c1-6(7-2-3-18-4-7)15-11-16-9(12)8-10(17-11)14-5-13-8/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKeyYYCXFAXZUNCXEQ-UHFFFAOYSA-N
XLogP2.77
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-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-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
CID 114052583
N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide
CID 114052462
2-chloro-N-[1-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697597
2,6-dichloro-7H-purine
CID 10750289
2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
CID 114052303
3-N-(6-chloro-7H-purin-2-yl)benzene-1,3-diamine
CID 87707609
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
CID 114785052
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114052490
2-chloro-N-[1-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697603
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114784241

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine?
The IUPAC name of 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine (CID 171679860) is 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine is CC(Nc1nc(Cl)c2[nH]cnc2n1)c1ccoc1.
What is the InChIKey of 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine?
The InChIKey is YYCXFAXZUNCXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-6(7-2-3-18-4-7)15-11-16-9(12)8-10(17-11)14-5-13-8/h2-6H,1H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine?
6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine has a molecular weight of 263.69 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine is sourced from PubChem (CID 171679860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).