2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide

C8H15IN6 — CID 130686325

IUPAC2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCCNc1ncccn1.I
InChIInChI=1S/C8H14N6.HI/c1-10-7(9)11-5-6-14-8-12-3-2-4-13-8;/h2-4H,5-6H2,1H3,(H3,9,10,11)(H,12,13,14);1H
InChIKeyBRUOMZCFNZEYLI-UHFFFAOYSA-N
MW322.15 g/mol
LogP0.04
Rot. Bonds4

About 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide

2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide (PubChem CID 130686325) has the molecular formula C8H15IN6 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide
PubChem CID130686325
Molecular FormulaC8H15IN6
Molecular Weight322.15 g/mol
Exact Mass322.04
IUPAC Name2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCCNc1ncccn1.I
InChIInChI=1S/C8H14N6.HI/c1-10-7(9)11-5-6-14-8-12-3-2-4-13-8;/h2-4H,5-6H2,1H3,(H3,9,10,11)(H,12,13,14);1H
InChIKeyBRUOMZCFNZEYLI-UHFFFAOYSA-N
XLogP0.04
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide (CID 130686325) is 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide is C/N=C(\N)NCCNc1ncccn1.I.
What is the InChIKey of 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide?
The InChIKey is BRUOMZCFNZEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6.HI/c1-10-7(9)11-5-6-14-8-12-3-2-4-13-8;/h2-4H,5-6H2,1H3,(H3,9,10,11)(H,12,13,14);1H.
What are the key properties of 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide?
2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide has a molecular weight of 322.15 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 130686325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).