2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine

C14H24N8O — CID 71654392

IUPAC2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine
SMILESCC(C)[C@@H](CO)Nc1nc(N=C(N)N)c2ncn(C(C)C)c2n1
InChIInChI=1S/C14H24N8O/c1-7(2)9(5-23)18-14-20-11(19-13(15)16)10-12(21-14)22(6-17-10)8(3)4/h6-9,23H,5H2,1-4H3,(H5,15,16,18,19,20,21)/t9-/m1/s1
InChIKeyZSUORGHLMRHFOA-SECBINFHSA-N
MW320.40 g/mol
LogP0.74
Rot. Bonds6

About 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine

2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine (PubChem CID 71654392) has the molecular formula C14H24N8O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine.

Molecular Properties

Compound Name2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine
PubChem CID71654392
Molecular FormulaC14H24N8O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine
SMILESCC(C)[C@@H](CO)Nc1nc(N=C(N)N)c2ncn(C(C)C)c2n1
InChIInChI=1S/C14H24N8O/c1-7(2)9(5-23)18-14-20-11(19-13(15)16)10-12(21-14)22(6-17-10)8(3)4/h6-9,23H,5H2,1-4H3,(H5,15,16,18,19,20,21)/t9-/m1/s1
InChIKeyZSUORGHLMRHFOA-SECBINFHSA-N
XLogP0.74
TPSA140.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine 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

Nb-001
CID 2815031
2-(6-Aminopurin-9-yl)ethanol
CID 242652
9-(2-Hydroxypropyl)adenine, (R)-
CID 445211
(2S,3R)-Ehna
CID 149790
Dihydrozeatin
CID 439631
(S)-9-(2,3-dihydroxypropyl)adenine
CID 73124
(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
CID 149784
2-(1H-Purin-6-ylamino)ethanol
CID 20684
8-Ethoxy-9-ethyladenine
CID 11805896
(+-)-Dihydrozeatin
CID 32021
Ehna
CID 3206
2-(6-amino-8-bromo-9H-purin-9-yl)ethanol
CID 44572469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine?
The IUPAC name of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine (CID 71654392) is 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine.
What is the SMILES notation for 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine?
The canonical SMILES for 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine is CC(C)[C@@H](CO)Nc1nc(N=C(N)N)c2ncn(C(C)C)c2n1.
What is the InChIKey of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine?
The InChIKey is ZSUORGHLMRHFOA-SECBINFHSA-N. The full InChI is InChI=1S/C14H24N8O/c1-7(2)9(5-23)18-14-20-11(19-13(15)16)10-12(21-14)22(6-17-10)8(3)4/h6-9,23H,5H2,1-4H3,(H5,15,16,18,19,20,21)/t9-/m1/s1.
What are the key properties of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine?
2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine has a molecular weight of 320.40 g/mol, XLogP of 0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine is sourced from PubChem (CID 71654392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).