2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide

C14H16N4O — CID 107550824

IUPAC2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cc(C)ccc2C)n1
InChIInChI=1S/C14H16N4O/c1-8-4-5-9(2)12(6-8)19-14-17-10(3)7-11(18-14)13(15)16/h4-7H,1-3H3,(H3,15,16)
InChIKeyQGWLLPBJEZHNQS-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.48
Rot. Bonds3

About 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide

2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550824) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550824
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cc(C)ccc2C)n1
InChIInChI=1S/C14H16N4O/c1-8-4-5-9(2)12(6-8)19-14-17-10(3)7-11(18-14)13(15)16/h4-7H,1-3H3,(H3,15,16)
InChIKeyQGWLLPBJEZHNQS-UHFFFAOYSA-N
XLogP2.48
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.48
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

6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
2-(5-fluoro-2-methylphenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548744
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
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide (CID 107550824) is 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2cc(C)ccc2C)n1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is QGWLLPBJEZHNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-4-5-9(2)12(6-8)19-14-17-10(3)7-11(18-14)13(15)16/h4-7H,1-3H3,(H3,15,16).
What are the key properties of 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide?
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).