1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

C15H19N5O2 — CID 2869866

IUPAC1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCOc1ccc(NC(N)=Nc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C15H19N5O2/c1-9-7-10(2)18-15(17-9)20-14(16)19-11-5-6-12(21-3)13(8-11)22-4/h5-8H,1-4H3,(H3,16,17,18,19,20)
InChIKeyBRNDCVZHQYAEHA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.17
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 2869866) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID2869866
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCOc1ccc(NC(N)=Nc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C15H19N5O2/c1-9-7-10(2)18-15(17-9)20-14(16)19-11-5-6-12(21-3)13(8-11)22-4/h5-8H,1-4H3,(H3,16,17,18,19,20)
InChIKeyBRNDCVZHQYAEHA-UHFFFAOYSA-N
XLogP2.17
TPSA94.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 2869866) is 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is COc1ccc(NC(N)=Nc2nc(C)cc(C)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is BRNDCVZHQYAEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-7-10(2)18-15(17-9)20-14(16)19-11-5-6-12(21-3)13(8-11)22-4/h5-8H,1-4H3,(H3,16,17,18,19,20).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 301.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 2869866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).