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

C17H23N5O — CID 3013234

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine
SMILESCCOc1ccc(CC/N=C(\N)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-4-23-15-7-5-14(6-8-15)9-10-19-16(18)22-17-20-12(2)11-13(3)21-17/h5-8,11H,4,9-10H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyJWLKUTGLWKFKKD-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.46
Rot. Bonds6

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

1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine (PubChem CID 3013234) 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-ethoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine
PubChem CID3013234
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine
SMILESCCOc1ccc(CC/N=C(\N)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-4-23-15-7-5-14(6-8-15)9-10-19-16(18)22-17-20-12(2)11-13(3)21-17/h5-8,11H,4,9-10H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyJWLKUTGLWKFKKD-UHFFFAOYSA-N
XLogP2.46
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.46
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-(4-ethoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine (CID 3013234) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine is CCOc1ccc(CC/N=C(\N)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine?
The InChIKey is JWLKUTGLWKFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-23-15-7-5-14(6-8-15)9-10-19-16(18)22-17-20-12(2)11-13(3)21-17/h5-8,11H,4,9-10H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-ethoxyphenyl)ethyl]guanidine has a molecular weight of 313.41 g/mol, XLogP of 2.46, 6 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-ethoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 3013234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).