2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide

C15H18N4O2 — CID 107665132

IUPAC2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2ccc(CC)cc2OC)n1
InChIInChI=1S/C15H18N4O2/c1-4-10-5-6-12(13(8-10)20-3)21-15-18-9(2)7-11(19-15)14(16)17/h5-8H,4H2,1-3H3,(H3,16,17)
InChIKeyLBNGJBLOQJRECA-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.43
Rot. Bonds5

About 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide

2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107665132) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
PubChem CID107665132
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2ccc(CC)cc2OC)n1
InChIInChI=1S/C15H18N4O2/c1-4-10-5-6-12(13(8-10)20-3)21-15-18-9(2)7-11(19-15)14(16)17/h5-8H,4H2,1-3H3,(H3,16,17)
InChIKeyLBNGJBLOQJRECA-UHFFFAOYSA-N
XLogP2.43
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 107665144
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridin-3-amine
CID 107663831

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide (CID 107665132) is 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2ccc(CC)cc2OC)n1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is LBNGJBLOQJRECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-10-5-6-12(13(8-10)20-3)21-15-18-9(2)7-11(19-15)14(16)17/h5-8H,4H2,1-3H3,(H3,16,17).
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 286.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107665132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).