1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine

C20H21N5O — CID 58638846

IUPAC1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
SMILESCOc1cc(C)nc(/N=C(\N)Nc2cccc(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H21N5O/c1-14-11-18(26-2)24-20(22-14)25-19(21)23-17-10-6-9-16(13-17)12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyIEMBFSXUWMJUJO-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.44
Rot. Bonds5

About 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine

1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine (PubChem CID 58638846) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
PubChem CID58638846
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
SMILESCOc1cc(C)nc(/N=C(\N)Nc2cccc(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H21N5O/c1-14-11-18(26-2)24-20(22-14)25-19(21)23-17-10-6-9-16(13-17)12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyIEMBFSXUWMJUJO-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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

1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638806
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
CID 11537543
1-(3-tert-butylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638812
2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
CID 58638844
2-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]-1-(3-nitrophenyl)guanidine
CID 75043234
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
CID 2886994
N-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]propanamide
CID 3363508
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-pentylphenyl)guanidine
CID 58638776
4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
CID 13302362
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
propan-2-yl 2-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]acetate
CID 2926873

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The IUPAC name of 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine (CID 58638846) is 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine is COc1cc(C)nc(/N=C(\N)Nc2cccc(Cc3ccccc3)c2)n1.
What is the InChIKey of 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The InChIKey is IEMBFSXUWMJUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-11-18(26-2)24-20(22-14)25-19(21)23-17-10-6-9-16(13-17)12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine has a molecular weight of 347.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 58638846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).