1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine

C15H18BrN5 — CID 3013274

IUPAC1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
SMILESCc1nc(N/C(N)=N/CCc2ccccc2)nc(C)c1Br
InChIInChI=1S/C15H18BrN5/c1-10-13(16)11(2)20-15(19-10)21-14(17)18-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyWZARILNQIYNZPX-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.83
Rot. Bonds4

About 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine

1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine (PubChem CID 3013274) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
PubChem CID3013274
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
SMILESCc1nc(N/C(N)=N/CCc2ccccc2)nc(C)c1Br
InChIInChI=1S/C15H18BrN5/c1-10-13(16)11(2)20-15(19-10)21-14(17)18-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyWZARILNQIYNZPX-UHFFFAOYSA-N
XLogP2.83
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
CID 3013275
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenylethyl)guanidine;hydrochloride
CID 45263056
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide
CID 110935533
2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
CID 6341571
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572
1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072148
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine (CID 3013274) is 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine is Cc1nc(N/C(N)=N/CCc2ccccc2)nc(C)c1Br.
What is the InChIKey of 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The InChIKey is WZARILNQIYNZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-10-13(16)11(2)20-15(19-10)21-14(17)18-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine has a molecular weight of 348.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 3013274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).