1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine

C13H17N5O — CID 3013263

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2ccco2)n1
InChIInChI=1S/C13H17N5O/c1-9-8-10(2)17-13(16-9)18-12(14)15-6-5-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyMQRWFBVXZPUPLF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.66
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 3013263) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine
PubChem CID3013263
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2ccco2)n1
InChIInChI=1S/C13H17N5O/c1-9-8-10(2)17-13(16-9)18-12(14)15-6-5-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyMQRWFBVXZPUPLF-UHFFFAOYSA-N
XLogP1.66
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.66
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-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine (CID 3013263) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine is Cc1cc(C)nc(N/C(N)=N/CCc2ccco2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is MQRWFBVXZPUPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-8-10(2)17-13(16-9)18-12(14)15-6-5-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 259.31 g/mol, XLogP of 1.66, 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-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 3013263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).