9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine

C22H22N6 — CID 57147797

IUPAC9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine
SMILESNc1nc(Nc2ccc(-c3ccccc3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C22H22N6/c23-22-26-20(19-21(27-22)28(14-24-19)18-8-4-5-9-18)25-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14,18H,4-5,8-9H2,(H3,23,25,26,27)
InChIKeyIGQMZNFHTWSTKM-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.93
Rot. Bonds4

About 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine

9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine (PubChem CID 57147797) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine.

Molecular Properties

Compound Name9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine
PubChem CID57147797
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine
SMILESNc1nc(Nc2ccc(-c3ccccc3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C22H22N6/c23-22-26-20(19-21(27-22)28(14-24-19)18-8-4-5-9-18)25-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14,18H,4-5,8-9H2,(H3,23,25,26,27)
InChIKeyIGQMZNFHTWSTKM-UHFFFAOYSA-N
XLogP4.93
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
CID 117085834
4-[9-cyclohexyl-6-(4-phenoxyanilino)purin-2-yl]benzamide
CID 117093893
9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 141410278
9-cyclohexyl-2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)purin-6-amine
CID 117093779
acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine
CID 69349660
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
N-[4-[(2-chloro-9-cyclohexylpurin-6-yl)amino]phenyl]acetamide
CID 117089119
6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574948
2-(3-aminophenyl)-9-cyclohexyl-N-(2-phenoxyethyl)purin-6-amine
CID 117080754
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine?
The IUPAC name of 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine (CID 57147797) is 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine.
What is the SMILES notation for 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine?
The canonical SMILES for 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine is Nc1nc(Nc2ccc(-c3ccccc3)cc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine?
The InChIKey is IGQMZNFHTWSTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c23-22-26-20(19-21(27-22)28(14-24-19)18-8-4-5-9-18)25-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14,18H,4-5,8-9H2,(H3,23,25,26,27).
What are the key properties of 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine?
9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine has a molecular weight of 370.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine is sourced from PubChem (CID 57147797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).