1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine

C17H23N5O — CID 142888276

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine
SMILESCOc1ccc(C(C)C/N=C(\N)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-11(14-5-7-15(23-4)8-6-14)10-19-16(18)22-17-20-12(2)9-13(3)21-17/h5-9,11H,10H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyARRDFBQBWMBBBP-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.63
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine (PubChem CID 142888276) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine
PubChem CID142888276
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine
SMILESCOc1ccc(C(C)C/N=C(\N)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-11(14-5-7-15(23-4)8-6-14)10-19-16(18)22-17-20-12(2)9-13(3)21-17/h5-9,11H,10H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyARRDFBQBWMBBBP-UHFFFAOYSA-N
XLogP2.63
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.63
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-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572
1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032607
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111067384
1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032961
1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
CID 6850937
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111067508
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111027269
1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
CID 111818407
2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 142888271
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111815995
2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
CID 6341571
2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111091128

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine (CID 142888276) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine is COc1ccc(C(C)C/N=C(\N)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine?
The InChIKey is ARRDFBQBWMBBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(14-5-7-15(23-4)8-6-14)10-19-16(18)22-17-20-12(2)9-13(3)21-17/h5-9,11H,10H2,1-4H3,(H3,18,19,20,21,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine has a molecular weight of 313.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine is sourced from PubChem (CID 142888276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).