2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine

C11H16Br2N4 — CID 122097065

IUPAC2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1c(Br)cncc1Br
InChIInChI=1S/C11H16Br2N4/c1-7(2)3-16-11(14)17-4-8-9(12)5-15-6-10(8)13/h5-7H,3-4H2,1-2H3,(H3,14,16,17)
InChIKeySCUKIJXGCWRNCL-UHFFFAOYSA-N
MW364.09 g/mol
LogP2.67
Rot. Bonds4

About 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine

2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine (PubChem CID 122097065) has the molecular formula C11H16Br2N4 and a molecular weight of 364.09 g/mol. Its IUPAC name is 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
PubChem CID122097065
Molecular FormulaC11H16Br2N4
Molecular Weight364.09 g/mol
Exact Mass361.97
IUPAC Name2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1c(Br)cncc1Br
InChIInChI=1S/C11H16Br2N4/c1-7(2)3-16-11(14)17-4-8-9(12)5-15-6-10(8)13/h5-7H,3-4H2,1-2H3,(H3,14,16,17)
InChIKeySCUKIJXGCWRNCL-UHFFFAOYSA-N
XLogP2.67
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.09
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[(2-bromophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912324
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
CID 120603258
2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine
CID 106373219
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
2-[(3-bromo-4-methoxyphenyl)methyl]-1-(2-methylpropyl)guanidine
CID 111095628
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111806939
1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110935746
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
CID 62362032
1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 79492896
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine (CID 122097065) is 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/Cc1c(Br)cncc1Br.
What is the InChIKey of 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine?
The InChIKey is SCUKIJXGCWRNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N4/c1-7(2)3-16-11(14)17-4-8-9(12)5-15-6-10(8)13/h5-7H,3-4H2,1-2H3,(H3,14,16,17).
What are the key properties of 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine?
2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine has a molecular weight of 364.09 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 122097065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).