9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine

C8H13N7 — CID 146232455

IUPAC9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine
SMILESCN[C@@H](C)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C8H13N7/c1-4(11-2)15-3-12-5-6(9)13-8(10)14-7(5)15/h3-4,11H,1-2H3,(H4,9,10,13,14)/t4-/m1/s1
InChIKeyGLXACSRCHAOUGH-SCSAIBSYSA-N
MW207.24 g/mol
LogP-0.27
Rot. Bonds2

About 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine

9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine (PubChem CID 146232455) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine
PubChem CID146232455
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine
SMILESCN[C@@H](C)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C8H13N7/c1-4(11-2)15-3-12-5-6(9)13-8(10)14-7(5)15/h3-4,11H,1-2H3,(H4,9,10,13,14)/t4-/m1/s1
InChIKeyGLXACSRCHAOUGH-SCSAIBSYSA-N
XLogP-0.27
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(1-aminoethyl)purine-2,6-diamine
CID 166965678
9-N-amino-9-N-(methylamino)purine-2,6,9-triamine
CID 170001265
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol
CID 21145493
N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide
CID 145188830
(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol
CID 168757086
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
(2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol
CID 70490569
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211

Frequently Asked Questions

What is the IUPAC name of 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine?
The IUPAC name of 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine (CID 146232455) is 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine.
What is the SMILES notation for 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine?
The canonical SMILES for 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine is CN[C@@H](C)n1cnc2c(N)nc(N)nc21.
What is the InChIKey of 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine?
The InChIKey is GLXACSRCHAOUGH-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H13N7/c1-4(11-2)15-3-12-5-6(9)13-8(10)14-7(5)15/h3-4,11H,1-2H3,(H4,9,10,13,14)/t4-/m1/s1.
What are the key properties of 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine?
9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine has a molecular weight of 207.24 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine is sourced from PubChem (CID 146232455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).