2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine

C16H21N5O — CID 120913688

IUPAC2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/Cc1cc(C)nc(C)n1
InChIInChI=1S/C16H21N5O/c1-11-8-14(20-12(2)19-11)9-18-16(17)21-15-7-5-4-6-13(15)10-22-3/h4-8H,9-10H2,1-3H3,(H3,17,18,21)
InChIKeyFCMSTBQWWZQJIQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.17
Rot. Bonds5

About 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine

2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine (PubChem CID 120913688) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
PubChem CID120913688
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/Cc1cc(C)nc(C)n1
InChIInChI=1S/C16H21N5O/c1-11-8-14(20-12(2)19-11)9-18-16(17)21-15-7-5-4-6-13(15)10-22-3/h4-8H,9-10H2,1-3H3,(H3,17,18,21)
InChIKeyFCMSTBQWWZQJIQ-UHFFFAOYSA-N
XLogP2.17
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.17
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-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119163637
1-(2,6-diethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913671
1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119163631
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120913703
2-(2-chloroprop-2-enyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 119163681
1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119163660
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
CID 62378566
1-[2-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 119163641
1-(4-butan-2-ylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913691
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 119163658
1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
CID 119163664
1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
CID 120913740

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine?
The IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine (CID 120913688) is 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine.
What is the SMILES notation for 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine?
The canonical SMILES for 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine is COCc1ccccc1N/C(N)=N/Cc1cc(C)nc(C)n1.
What is the InChIKey of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine?
The InChIKey is FCMSTBQWWZQJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-8-14(20-12(2)19-11)9-18-16(17)21-15-7-5-4-6-13(15)10-22-3/h4-8H,9-10H2,1-3H3,(H3,17,18,21).
What are the key properties of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine?
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine has a molecular weight of 299.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine is sourced from PubChem (CID 120913688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).