2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine

C9H14N8 — CID 11149006

IUPAC2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine
SMILESCC(C)n1cnc2c(N=C(N)N)nc(N)nc21
InChIInChI=1S/C9H14N8/c1-4(2)17-3-13-5-6(14-8(10)11)15-9(12)16-7(5)17/h3-4H,1-2H3,(H6,10,11,12,14,15,16)
InChIKeyFFFBLOKFGMOYDL-UHFFFAOYSA-N
MW234.27 g/mol
LogP-0.11
Rot. Bonds2

About 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine

2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine (PubChem CID 11149006) has the molecular formula C9H14N8 and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine.

Molecular Properties

Compound Name2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine
PubChem CID11149006
Molecular FormulaC9H14N8
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Name2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine
SMILESCC(C)n1cnc2c(N=C(N)N)nc(N)nc21
InChIInChI=1S/C9H14N8/c1-4(2)17-3-13-5-6(14-8(10)11)15-9(12)16-7(5)17/h3-4H,1-2H3,(H6,10,11,12,14,15,16)
InChIKeyFFFBLOKFGMOYDL-UHFFFAOYSA-N
XLogP-0.11
TPSA134.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 190
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CID 30976
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CID 92180
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CID 3134
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CID 67955
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CID 71593
CID 71593
CID 255450
CID 255450
CID 69689
CID 69689
CID 242652
CID 242652
CID 445211
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CID 5270
CID 5270
CID 7
CID 7

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine?
The IUPAC name of 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine (CID 11149006) is 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine.
What is the SMILES notation for 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine?
The canonical SMILES for 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine is CC(C)n1cnc2c(N=C(N)N)nc(N)nc21.
What is the InChIKey of 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine?
The InChIKey is FFFBLOKFGMOYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8/c1-4(2)17-3-13-5-6(14-8(10)11)15-9(12)16-7(5)17/h3-4H,1-2H3,(H6,10,11,12,14,15,16).
What are the key properties of 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine?
2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine has a molecular weight of 234.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-9-propan-2-ylpurin-6-yl)guanidine is sourced from PubChem (CID 11149006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).