1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine

C12H17N7 — CID 5159263

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2cnc[nH]2)n1
InChIInChI=1S/C12H17N7/c1-8-5-9(2)18-12(17-8)19-11(13)15-4-3-10-6-14-7-16-10/h5-7H,3-4H2,1-2H3,(H,14,16)(H3,13,15,17,18,19)
InChIKeyOLRHRIKWSZWWQB-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.79
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine (PubChem CID 5159263) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
PubChem CID5159263
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2cnc[nH]2)n1
InChIInChI=1S/C12H17N7/c1-8-5-9(2)18-12(17-8)19-11(13)15-4-3-10-6-14-7-16-10/h5-7H,3-4H2,1-2H3,(H,14,16)(H3,13,15,17,18,19)
InChIKeyOLRHRIKWSZWWQB-UHFFFAOYSA-N
XLogP0.79
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine (CID 5159263) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine is Cc1cc(C)nc(N/C(N)=N/CCc2cnc[nH]2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
The InChIKey is OLRHRIKWSZWWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-8-5-9(2)18-12(17-8)19-11(13)15-4-3-10-6-14-7-16-10/h5-7H,3-4H2,1-2H3,(H,14,16)(H3,13,15,17,18,19).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-imidazol-5-yl)ethyl]guanidine has a molecular weight of 259.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 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-(1H-imidazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 5159263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).