6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide

C15H18N4O — CID 107550998

IUPAC6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C15H18N4O/c1-8-5-6-9(2)13(11(8)4)20-15-18-10(3)7-12(19-15)14(16)17/h5-7H,1-4H3,(H3,16,17)
InChIKeyJBCDGIOWGKGJKL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.79
Rot. Bonds3

About 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide

6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide (PubChem CID 107550998) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
PubChem CID107550998
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C15H18N4O/c1-8-5-6-9(2)13(11(8)4)20-15-18-10(3)7-12(19-15)14(16)17/h5-7H,1-4H3,(H3,16,17)
InChIKeyJBCDGIOWGKGJKL-UHFFFAOYSA-N
XLogP2.79
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.79
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'}

Analyze 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 64596172
4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 55155138
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
CID 107551174
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
CID 107551256

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide (CID 107550998) is 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2c(C)ccc(C)c2C)n1.
What is the InChIKey of 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide?
The InChIKey is JBCDGIOWGKGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-8-5-6-9(2)13(11(8)4)20-15-18-10(3)7-12(19-15)14(16)17/h5-7H,1-4H3,(H3,16,17).
What are the key properties of 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide?
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).