2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine

C20H28N8 — CID 59095048

IUPAC2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(NCc3cccnc3)nc(N[C@@H]3CCCC[C@@H]3N)nc21
InChIInChI=1S/C20H28N8/c1-13(2)28-12-24-17-18(23-11-14-6-5-9-22-10-14)26-20(27-19(17)28)25-16-8-4-3-7-15(16)21/h5-6,9-10,12-13,15-16H,3-4,7-8,11,21H2,1-2H3,(H2,23,25,26,27)/t15-,16+/m0/s1
InChIKeyKUIZEOJIVVAJQV-JKSUJKDBSA-N
MW380.50 g/mol
LogP3.10
Rot. Bonds6

About 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine

2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine (PubChem CID 59095048) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
PubChem CID59095048
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(NCc3cccnc3)nc(N[C@@H]3CCCC[C@@H]3N)nc21
InChIInChI=1S/C20H28N8/c1-13(2)28-12-24-17-18(23-11-14-6-5-9-22-10-14)26-20(27-19(17)28)25-16-8-4-3-7-15(16)21/h5-6,9-10,12-13,15-16H,3-4,7-8,11,21H2,1-2H3,(H2,23,25,26,27)/t15-,16+/m0/s1
InChIKeyKUIZEOJIVVAJQV-JKSUJKDBSA-N
XLogP3.10
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-[(6-phenyl-3-pyridinyl)methyl]-9-propan-2-ylpurine-2,6-diamine
CID 59118766
2-[[[2-[[(1R,2R)-2-aminocyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
CID 118736144
2-N-[(3R)-2-methylpentan-3-yl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 91472245
9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117088690
(3S,4S)-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718284
9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117084811
(3R,4S)-2-methyl-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718335
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080592
2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol
CID 154065175
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080623
(1S,2R,3R)-3-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexane-1,2-diol
CID 46912952
6-N-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-2-N-cyclohexyl-9-propan-2-ylpurine-2,6-diamine
CID 142220599

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The IUPAC name of 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine (CID 59095048) is 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine.
What is the SMILES notation for 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The canonical SMILES for 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine is CC(C)n1cnc2c(NCc3cccnc3)nc(N[C@@H]3CCCC[C@@H]3N)nc21.
What is the InChIKey of 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The InChIKey is KUIZEOJIVVAJQV-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H28N8/c1-13(2)28-12-24-17-18(23-11-14-6-5-9-22-10-14)26-20(27-19(17)28)25-16-8-4-3-7-15(16)21/h5-6,9-10,12-13,15-16H,3-4,7-8,11,21H2,1-2H3,(H2,23,25,26,27)/t15-,16+/m0/s1.
What are the key properties of 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine has a molecular weight of 380.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine is sourced from PubChem (CID 59095048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).