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

C13H15N5O — CID 2869905

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2cccc(O)c2)n1
InChIInChI=1S/C13H15N5O/c1-8-6-9(2)16-13(15-8)18-12(14)17-10-4-3-5-11(19)7-10/h3-7,19H,1-2H3,(H3,14,15,16,17,18)
InChIKeyGQNZOGIWBIJYJN-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.86
Rot. Bonds2

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

2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine (PubChem CID 2869905) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine
PubChem CID2869905
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2cccc(O)c2)n1
InChIInChI=1S/C13H15N5O/c1-8-6-9(2)16-13(15-8)18-12(14)17-10-4-3-5-11(19)7-10/h3-7,19H,1-2H3,(H3,14,15,16,17,18)
InChIKeyGQNZOGIWBIJYJN-UHFFFAOYSA-N
XLogP1.86
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.86
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 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine (CID 2869905) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine is Cc1cc(C)nc(N=C(N)Nc2cccc(O)c2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine?
The InChIKey is GQNZOGIWBIJYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-6-9(2)16-13(15-8)18-12(14)17-10-4-3-5-11(19)7-10/h3-7,19H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine has a molecular weight of 257.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine is sourced from PubChem (CID 2869905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).