2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine

C13H15N5O — CID 67531074

IUPAC2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1ncccn1
InChIInChI=1S/C13H15N5O/c1-19-11-6-3-2-5-10(11)9-17-12(14)18-13-15-7-4-8-16-13/h2-8H,9H2,1H3,(H3,14,15,16,17,18)
InChIKeyQYUUQTMHMFBRDA-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.41
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine

2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine (PubChem CID 67531074) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
PubChem CID67531074
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1ncccn1
InChIInChI=1S/C13H15N5O/c1-19-11-6-3-2-5-10(11)9-17-12(14)18-13-15-7-4-8-16-13/h2-8H,9H2,1H3,(H3,14,15,16,17,18)
InChIKeyQYUUQTMHMFBRDA-UHFFFAOYSA-N
XLogP1.41
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67387494
2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
CID 67532251
2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine
CID 67386657
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111025242
1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67532961
1-(2-methoxyphenyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059510
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine (CID 67531074) is 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine is COc1ccccc1C/N=C(\N)Nc1ncccn1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine?
The InChIKey is QYUUQTMHMFBRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-19-11-6-3-2-5-10(11)9-17-12(14)18-13-15-7-4-8-16-13/h2-8H,9H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine?
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine has a molecular weight of 257.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine is sourced from PubChem (CID 67531074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).