N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine

C23H32N6 — CID 6605088

IUPACN-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine
SMILESCc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1
InChIInChI=1S/C23H32N6/c1-17-24-21(26-19-13-8-5-9-14-19)20-23(25-17)29(16-10-15-28(2)3)22(27-20)18-11-6-4-7-12-18/h4,6-7,11-12,19H,5,8-10,13-16H2,1-3H3,(H,24,25,26)
InChIKeyMZTDJPHGYJKXKZ-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.50
Rot. Bonds7

About N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine

N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine (PubChem CID 6605088) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine
PubChem CID6605088
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC NameN-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine
SMILESCc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1
InChIInChI=1S/C23H32N6/c1-17-24-21(26-19-13-8-5-9-14-19)20-23(25-17)29(16-10-15-28(2)3)22(27-20)18-11-6-4-7-12-18/h4,6-7,11-12,19H,5,8-10,13-16H2,1-3H3,(H,24,25,26)
InChIKeyMZTDJPHGYJKXKZ-UHFFFAOYSA-N
XLogP4.50
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine?
The IUPAC name of N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine (CID 6605088) is N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine.
What is the SMILES notation for N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine?
The canonical SMILES for N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine is Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1.
What is the InChIKey of N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine?
The InChIKey is MZTDJPHGYJKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6/c1-17-24-21(26-19-13-8-5-9-14-19)20-23(25-17)29(16-10-15-28(2)3)22(27-20)18-11-6-4-7-12-18/h4,6-7,11-12,19H,5,8-10,13-16H2,1-3H3,(H,24,25,26).
What are the key properties of N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine?
N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine has a molecular weight of 392.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine is sourced from PubChem (CID 6605088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).