1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine

C15H22N6O — CID 111052869

IUPAC1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C15H22N6O/c1-11(10-22-3)20-15(16)19-9-13-4-5-14(18-8-13)21-7-6-17-12(21)2/h4-8,11H,9-10H2,1-3H3,(H3,16,19,20)
InChIKeyVHQZZFSKKJJNEG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.01
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine

1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 111052869) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
PubChem CID111052869
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C15H22N6O/c1-11(10-22-3)20-15(16)19-9-13-4-5-14(18-8-13)21-7-6-17-12(21)2/h4-8,11H,9-10H2,1-3H3,(H3,16,19,20)
InChIKeyVHQZZFSKKJJNEG-UHFFFAOYSA-N
XLogP1.01
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-methoxypropan-2-yl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111048901
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111052855
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine
CID 111052827
1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 119118549
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111052804
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111049165
1-(1-methoxypropan-2-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468
2-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111805477
2-[(1-benzylimidazol-2-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111817154
4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 110919203

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine (CID 111052869) is 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine is COCC(C)N/C(N)=N/Cc1ccc(-n2ccnc2C)nc1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is VHQZZFSKKJJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(10-22-3)20-15(16)19-9-13-4-5-14(18-8-13)21-7-6-17-12(21)2/h4-8,11H,9-10H2,1-3H3,(H3,16,19,20).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 302.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111052869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).