2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine

C14H17N5 — CID 2869857

IUPAC2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/Cc2ccccc2)n1
InChIInChI=1S/C14H17N5/c1-10-8-11(2)18-14(17-10)19-13(15)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyCVTHZPTYOUBYQM-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.02
Rot. Bonds3

About 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine

2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 2869857) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID2869857
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/Cc2ccccc2)n1
InChIInChI=1S/C14H17N5/c1-10-8-11(2)18-14(17-10)19-13(15)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyCVTHZPTYOUBYQM-UHFFFAOYSA-N
XLogP2.02
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 2869857) is 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine is Cc1cc(C)nc(N/C(N)=N/Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is CVTHZPTYOUBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-8-11(2)18-14(17-10)19-13(15)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 255.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 2869857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).