2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine

C16H21N5O — CID 2268324

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
SMILESCCCOc1ccccc1NC(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C16H21N5O/c1-4-9-22-14-8-6-5-7-13(14)20-15(17)21-16-18-11(2)10-12(3)19-16/h5-8,10H,4,9H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyGVWSSDQYLQCLPF-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.94
Rot. Bonds5

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

2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine (PubChem CID 2268324) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
PubChem CID2268324
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
SMILESCCCOc1ccccc1NC(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C16H21N5O/c1-4-9-22-14-8-6-5-7-13(14)20-15(17)21-16-18-11(2)10-12(3)19-16/h5-8,10H,4,9H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyGVWSSDQYLQCLPF-UHFFFAOYSA-N
XLogP2.94
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.94
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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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
CID 2886994
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine
CID 11551941
2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine
CID 58638829
1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11545176
1-(4-butyl-2-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11638181
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide
CID 135992391
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
CID 11537543

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine (CID 2268324) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine is CCCOc1ccccc1NC(N)=Nc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine?
The InChIKey is GVWSSDQYLQCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-9-22-14-8-6-5-7-13(14)20-15(17)21-16-18-11(2)10-12(3)19-16/h5-8,10H,4,9H2,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine has a molecular weight of 299.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine is sourced from PubChem (CID 2268324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).