N,8-diphenyl-9-propan-2-ylpurin-6-amine

C20H19N5 — CID 117092948

IUPACN,8-diphenyl-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2ccccc2)nc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C20H19N5/c1-14(2)25-19(15-9-5-3-6-10-15)24-17-18(21-13-22-20(17)25)23-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23)
InChIKeyGKVHDWGGSNAINJ-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.82
Rot. Bonds4

About N,8-diphenyl-9-propan-2-ylpurin-6-amine

N,8-diphenyl-9-propan-2-ylpurin-6-amine (PubChem CID 117092948) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N,8-diphenyl-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN,8-diphenyl-9-propan-2-ylpurin-6-amine
PubChem CID117092948
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN,8-diphenyl-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2ccccc2)nc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C20H19N5/c1-14(2)25-19(15-9-5-3-6-10-15)24-17-18(21-13-22-20(17)25)23-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23)
InChIKeyGKVHDWGGSNAINJ-UHFFFAOYSA-N
XLogP4.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-phenyl-9-propan-2-yl-6-propoxypurine
CID 154718255
6-N-phenyl-9-propan-2-yl-8-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117093754
8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117092444
N-phenyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117082889
8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117092748
6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117091762
N-[8-(3-aminophenyl)-9-propan-2-ylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117081369
8-(3-aminophenyl)-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-ylpurin-6-amine
CID 117091959
4-[6-[2-[di(propan-2-yl)amino]ethylamino]-9-propan-2-ylpurin-8-yl]benzamide
CID 117080051
8-N-phenyl-9-propan-2-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-6,8-diamine
CID 117093011
8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine
CID 67383970
N,6-diphenylpyrido[3,2-d]pyrimidin-4-amine
CID 150209313

Frequently Asked Questions

What is the IUPAC name of N,8-diphenyl-9-propan-2-ylpurin-6-amine?
The IUPAC name of N,8-diphenyl-9-propan-2-ylpurin-6-amine (CID 117092948) is N,8-diphenyl-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N,8-diphenyl-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N,8-diphenyl-9-propan-2-ylpurin-6-amine is CC(C)n1c(-c2ccccc2)nc2c(Nc3ccccc3)ncnc21.
What is the InChIKey of N,8-diphenyl-9-propan-2-ylpurin-6-amine?
The InChIKey is GKVHDWGGSNAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14(2)25-19(15-9-5-3-6-10-15)24-17-18(21-13-22-20(17)25)23-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23).
What are the key properties of N,8-diphenyl-9-propan-2-ylpurin-6-amine?
N,8-diphenyl-9-propan-2-ylpurin-6-amine has a molecular weight of 329.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-diphenyl-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 117092948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).