2-(4,6-diaminopyrimidin-2-yl)guanidine

C5H9N7 — CID 12789423

IUPAC2-(4,6-diaminopyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(N)cc(N)n1
InChIInChI=1S/C5H9N7/c6-2-1-3(7)11-5(10-2)12-4(8)9/h1H,(H8,6,7,8,9,10,11,12)
InChIKeyHBDOIAFHLHZMCF-UHFFFAOYSA-N
MW167.18 g/mol
LogP-1.45
Rot. Bonds1

About 2-(4,6-diaminopyrimidin-2-yl)guanidine

2-(4,6-diaminopyrimidin-2-yl)guanidine (PubChem CID 12789423) has the molecular formula C5H9N7 and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)guanidine
PubChem CID12789423
Molecular FormulaC5H9N7
Molecular Weight167.18 g/mol
Exact Mass167.09
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(N)cc(N)n1
InChIInChI=1S/C5H9N7/c6-2-1-3(7)11-5(10-2)12-4(8)9/h1H,(H8,6,7,8,9,10,11,12)
InChIKeyHBDOIAFHLHZMCF-UHFFFAOYSA-N
XLogP-1.45
TPSA142.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)guanidine?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)guanidine (CID 12789423) is 2-(4,6-diaminopyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)guanidine is NC(N)=Nc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)guanidine?
The InChIKey is HBDOIAFHLHZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N7/c6-2-1-3(7)11-5(10-2)12-4(8)9/h1H,(H8,6,7,8,9,10,11,12).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)guanidine?
2-(4,6-diaminopyrimidin-2-yl)guanidine has a molecular weight of 167.18 g/mol, XLogP of -1.45, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)guanidine is sourced from PubChem (CID 12789423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).