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

C20H21N5O — CID 2883657

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C20H21N5O/c1-14-11-15(2)23-20(22-14)25-19(21)24-17-9-6-10-18(12-17)26-13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyWUJQDEZSNSBLJB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.73
Rot. Bonds5

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

2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine (PubChem CID 2883657) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
PubChem CID2883657
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C20H21N5O/c1-14-11-15(2)23-20(22-14)25-19(21)24-17-9-6-10-18(12-17)26-13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyWUJQDEZSNSBLJB-UHFFFAOYSA-N
XLogP3.73
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine (CID 2883657) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine is Cc1cc(C)nc(N=C(N)Nc2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
The InChIKey is WUJQDEZSNSBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-11-15(2)23-20(22-14)25-19(21)24-17-9-6-10-18(12-17)26-13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine has a molecular weight of 347.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 2883657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).