4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine

C13H12Cl2N2O — CID 82169633

IUPAC4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine
SMILESCCc1ccc(OCc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-2-9-3-5-10(6-4-9)18-8-13-16-11(14)7-12(15)17-13/h3-7H,2,8H2,1H3
InChIKeyUDXIUMVYYMZGLT-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.92
Rot. Bonds4

About 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine

4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine (PubChem CID 82169633) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine
PubChem CID82169633
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine
SMILESCCc1ccc(OCc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-2-9-3-5-10(6-4-9)18-8-13-16-11(14)7-12(15)17-13/h3-7H,2,8H2,1H3
InChIKeyUDXIUMVYYMZGLT-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]acetonitrile
CID 80663555
1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one
CID 99976883
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
CID 80664866
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
6-chloro-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82168815
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
CID 82169650
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine (CID 82169633) is 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine is CCc1ccc(OCc2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine?
The InChIKey is UDXIUMVYYMZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-2-9-3-5-10(6-4-9)18-8-13-16-11(14)7-12(15)17-13/h3-7H,2,8H2,1H3.
What are the key properties of 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine?
4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine has a molecular weight of 283.16 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine is sourced from PubChem (CID 82169633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).