4-(2,3-dimethylphenoxy)-6-methoxypyrimidine

C13H14N2O2 — CID 18736651

IUPAC4-(2,3-dimethylphenoxy)-6-methoxypyrimidine
SMILESCOc1cc(Oc2cccc(C)c2C)ncn1
InChIInChI=1S/C13H14N2O2/c1-9-5-4-6-11(10(9)2)17-13-7-12(16-3)14-8-15-13/h4-8H,1-3H3
InChIKeyWAKQVMIDOOLQRX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.89
Rot. Bonds3

About 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine

4-(2,3-dimethylphenoxy)-6-methoxypyrimidine (PubChem CID 18736651) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-6-methoxypyrimidine
PubChem CID18736651
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2,3-dimethylphenoxy)-6-methoxypyrimidine
SMILESCOc1cc(Oc2cccc(C)c2C)ncn1
InChIInChI=1S/C13H14N2O2/c1-9-5-4-6-11(10(9)2)17-13-7-12(16-3)14-8-15-13/h4-8H,1-3H3
InChIKeyWAKQVMIDOOLQRX-UHFFFAOYSA-N
XLogP2.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
CID 80864261
2-bromo-6-(2,3-dimethylphenoxy)pyridine
CID 63961920
2-methyl-3-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224160
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
1-(2,3-dimethylphenoxy)-2-methoxy-3,4-dimethylbenzene
CID 91665025
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
3-(6-methoxypyrimidin-4-yl)oxyaniline
CID 66319653
5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 166317588
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine?
The IUPAC name of 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine (CID 18736651) is 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine is COc1cc(Oc2cccc(C)c2C)ncn1.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine?
The InChIKey is WAKQVMIDOOLQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-4-6-11(10(9)2)17-13-7-12(16-3)14-8-15-13/h4-8H,1-3H3.
What are the key properties of 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine?
4-(2,3-dimethylphenoxy)-6-methoxypyrimidine has a molecular weight of 230.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-6-methoxypyrimidine is sourced from PubChem (CID 18736651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).