2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine

C13H13ClN2O2 — CID 55080992

IUPAC2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
SMILESCCOc1ccccc1Oc1cc(C)nc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-3-17-10-6-4-5-7-11(10)18-12-8-9(2)15-13(14)16-12/h4-8H,3H2,1-2H3
InChIKeyJDUTZKPVKHKEHX-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.63
Rot. Bonds4

About 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine

2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine (PubChem CID 55080992) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
PubChem CID55080992
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
SMILESCCOc1ccccc1Oc1cc(C)nc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-3-17-10-6-4-5-7-11(10)18-12-8-9(2)15-13(14)16-12/h4-8H,3H2,1-2H3
InChIKeyJDUTZKPVKHKEHX-UHFFFAOYSA-N
XLogP3.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
CID 62477097
2,4-dichloro-6-(2-ethoxyphenoxy)-1,3,5-triazine
CID 62858074
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbonitrile
CID 114766792
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434
2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
CID 55080893
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769243
4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
CID 63504492
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine (CID 55080992) is 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine is CCOc1ccccc1Oc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine?
The InChIKey is JDUTZKPVKHKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-17-10-6-4-5-7-11(10)18-12-8-9(2)15-13(14)16-12/h4-8H,3H2,1-2H3.
What are the key properties of 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine?
2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine is sourced from PubChem (CID 55080992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).