2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride

C25H32ClN7O — CID 45483708

IUPAC2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
SMILESCC(C)n1cnc2c(NCc3coc(-c4ccccc4)c3)nc(NC3CCC(N)CC3)nc21.Cl
InChIInChI=1S/C25H31N7O.ClH/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20;/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31);1H
InChIKeyVPKIFKVOJCATQC-UHFFFAOYSA-N
MW482.03 g/mol
LogP5.38
Rot. Bonds7

About 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride

2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride (PubChem CID 45483708) has the molecular formula C25H32ClN7O and a molecular weight of 482.03 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
PubChem CID45483708
Molecular FormulaC25H32ClN7O
Molecular Weight482.03 g/mol
Exact Mass481.24
IUPAC Name2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
SMILESCC(C)n1cnc2c(NCc3coc(-c4ccccc4)c3)nc(NC3CCC(N)CC3)nc21.Cl
InChIInChI=1S/C25H31N7O.ClH/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20;/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31);1H
InChIKeyVPKIFKVOJCATQC-UHFFFAOYSA-N
XLogP5.38
TPSA106.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.03
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride?
The IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride (CID 45483708) is 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride is CC(C)n1cnc2c(NCc3coc(-c4ccccc4)c3)nc(NC3CCC(N)CC3)nc21.Cl.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride?
The InChIKey is VPKIFKVOJCATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O.ClH/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20;/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31);1H.
What are the key properties of 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride?
2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride has a molecular weight of 482.03 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylfuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride is sourced from PubChem (CID 45483708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).