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

C20H21N5O — CID 11537543

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
SMILESCOc1cc(N/C(N)=N/c2nc(C)cc(C)n2)ccc1-c1ccccc1
InChIInChI=1S/C20H21N5O/c1-13-11-14(2)23-20(22-13)25-19(21)24-16-9-10-17(18(12-16)26-3)15-7-5-4-6-8-15/h4-12H,1-3H3,(H3,21,22,23,24,25)
InChIKeyDWABONZDJLJWFD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.83
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine (PubChem CID 11537543) 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-methoxy-4-phenylphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
PubChem CID11537543
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
SMILESCOc1cc(N/C(N)=N/c2nc(C)cc(C)n2)ccc1-c1ccccc1
InChIInChI=1S/C20H21N5O/c1-13-11-14(2)23-20(22-13)25-19(21)24-16-9-10-17(18(12-16)26-3)15-7-5-4-6-8-15/h4-12H,1-3H3,(H3,21,22,23,24,25)
InChIKeyDWABONZDJLJWFD-UHFFFAOYSA-N
XLogP3.83
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.83
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

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638846
1-(3-tert-butylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638812
N-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]propanamide
CID 3363508
2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine
CID 58638829
1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638806
1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638779
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine
CID 11551941
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
CID 2268324
1-(3,4-dimethoxyphenyl)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111099498
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638819

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine (CID 11537543) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine is COc1cc(N/C(N)=N/c2nc(C)cc(C)n2)ccc1-c1ccccc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine?
The InChIKey is DWABONZDJLJWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-11-14(2)23-20(22-13)25-19(21)24-16-9-10-17(18(12-16)26-3)15-7-5-4-6-8-15/h4-12H,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine has a molecular weight of 347.42 g/mol, XLogP of 3.83, 4 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-methoxy-4-phenylphenyl)guanidine is sourced from PubChem (CID 11537543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).