1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine

C13H17N5S — CID 46887155

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2ccsc2)n1
InChIInChI=1S/C13H17N5S/c1-9-7-10(2)17-13(16-9)18-12(14)15-5-3-11-4-6-19-8-11/h4,6-8H,3,5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyLXVWZMBWXBKEKY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.12
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine (PubChem CID 46887155) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine
PubChem CID46887155
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2ccsc2)n1
InChIInChI=1S/C13H17N5S/c1-9-7-10(2)17-13(16-9)18-12(14)15-5-3-11-4-6-19-8-11/h4,6-8H,3,5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyLXVWZMBWXBKEKY-UHFFFAOYSA-N
XLogP2.12
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine (CID 46887155) is 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine is Cc1cc(C)nc(N/C(N)=N/CCc2ccsc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine?
The InChIKey is LXVWZMBWXBKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-9-7-10(2)17-13(16-9)18-12(14)15-5-3-11-4-6-19-8-11/h4,6-8H,3,5H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-thiophen-3-ylethyl)guanidine has a molecular weight of 275.38 g/mol, XLogP of 2.12, 4 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-thiophen-3-ylethyl)guanidine is sourced from PubChem (CID 46887155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).