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

C22H30N6 — CID 6605104

IUPACN-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine
SMILESCc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN(C)C)c2n1
InChIInChI=1S/C22H30N6/c1-16-23-20(25-18-12-8-5-9-13-18)19-22(24-16)28(15-14-27(2)3)21(26-19)17-10-6-4-7-11-17/h4,6-7,10-11,18H,5,8-9,12-15H2,1-3H3,(H,23,24,25)
InChIKeyWMPIAXAWMFVOCI-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.11
Rot. Bonds6

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

N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine (PubChem CID 6605104) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine
PubChem CID6605104
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine
SMILESCc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN(C)C)c2n1
InChIInChI=1S/C22H30N6/c1-16-23-20(25-18-12-8-5-9-13-18)19-22(24-16)28(15-14-27(2)3)21(26-19)17-10-6-4-7-11-17/h4,6-7,10-11,18H,5,8-9,12-15H2,1-3H3,(H,23,24,25)
InChIKeyWMPIAXAWMFVOCI-UHFFFAOYSA-N
XLogP4.11
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine?
The IUPAC name of N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine (CID 6605104) is N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine.
What is the SMILES notation for N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine?
The canonical SMILES for N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine is Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN(C)C)c2n1.
What is the InChIKey of N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine?
The InChIKey is WMPIAXAWMFVOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-16-23-20(25-18-12-8-5-9-13-18)19-22(24-16)28(15-14-27(2)3)21(26-19)17-10-6-4-7-11-17/h4,6-7,10-11,18H,5,8-9,12-15H2,1-3H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine?
N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine has a molecular weight of 378.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-9-[2-(dimethylamino)ethyl]-2-methyl-8-phenylpurin-6-amine is sourced from PubChem (CID 6605104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).