6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one

C21H30N8O2 — CID 134397347

IUPAC6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one
SMILESCC(C)n1cnc2c(Nc3cc(N)[nH]c(=O)c3)nc(N[C@H]3CCCC[C@@H]3CCO)nc21
InChIInChI=1S/C21H30N8O2/c1-12(2)29-11-23-18-19(24-14-9-16(22)26-17(31)10-14)27-21(28-20(18)29)25-15-6-4-3-5-13(15)7-8-30/h9-13,15,30H,3-8H2,1-2H3,(H5,22,24,25,26,27,28,31)/t13-,15+/m1/s1
InChIKeyDGFQTFPCICQJHX-HIFRSBDPSA-N
MW426.53 g/mol
LogP2.77
Rot. Bonds7

About 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one

6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one (PubChem CID 134397347) has the molecular formula C21H30N8O2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one
PubChem CID134397347
Molecular FormulaC21H30N8O2
Molecular Weight426.53 g/mol
Exact Mass426.25
IUPAC Name6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one
SMILESCC(C)n1cnc2c(Nc3cc(N)[nH]c(=O)c3)nc(N[C@H]3CCCC[C@@H]3CCO)nc21
InChIInChI=1S/C21H30N8O2/c1-12(2)29-11-23-18-19(24-14-9-16(22)26-17(31)10-14)27-21(28-20(18)29)25-15-6-4-3-5-13(15)7-8-30/h9-13,15,30H,3-8H2,1-2H3,(H5,22,24,25,26,27,28,31)/t13-,15+/m1/s1
InChIKeyDGFQTFPCICQJHX-HIFRSBDPSA-N
XLogP2.77
TPSA146.77 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 52.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one
CID 142317527
2-[3-[[2-[(2-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]-5-chlorophenyl]acetamide
CID 172827524
N-[3-[[2-[[(1S,2R)-2-aminocyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-5-methylphenyl]acetamide
CID 157289403
2-[[[2-[[(1R,2R)-2-aminocyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
CID 118736144
(2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 6604931
3-[[6-(cyclopentylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
CID 10615524
2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 59095048
4-[[6-(4-bromo-3,5-dimethoxyanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 176909297
2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-[(6-phenyl-3-pyridinyl)methyl]-9-propan-2-ylpurine-2,6-diamine
CID 59118766
acetamide;6-N-[(4-bromophenyl)methyl]-2-N-cyclohexyl-9-propan-2-ylpurine-2,6-diamine
CID 142220838
2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol
CID 23393285
(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 171851734

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one (CID 134397347) is 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one is CC(C)n1cnc2c(Nc3cc(N)[nH]c(=O)c3)nc(N[C@H]3CCCC[C@@H]3CCO)nc21.
What is the InChIKey of 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one?
The InChIKey is DGFQTFPCICQJHX-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H30N8O2/c1-12(2)29-11-23-18-19(24-14-9-16(22)26-17(31)10-14)27-21(28-20(18)29)25-15-6-4-3-5-13(15)7-8-30/h9-13,15,30H,3-8H2,1-2H3,(H5,22,24,25,26,27,28,31)/t13-,15+/m1/s1.
What are the key properties of 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one?
6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one has a molecular weight of 426.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 134397347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).