4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine

C7H7Cl2FN2O — CID 80550343

IUPAC4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine
SMILESCOC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2O/c1-3(13-2)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyRMIFAWRTUMDPAG-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.63
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine (PubChem CID 80550343) has the molecular formula C7H7Cl2FN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine
PubChem CID80550343
Molecular FormulaC7H7Cl2FN2O
Molecular Weight225.05 g/mol
Exact Mass223.99
IUPAC Name4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine
SMILESCOC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2O/c1-3(13-2)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyRMIFAWRTUMDPAG-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033
4,6-Dichloro-2-(methoxymethyl)pyrimidine
CID 53438121
4,6-Dichloro-2-ethyl-5-fluoropyrimidine
CID 55264154
4,6-dichloro-5-methoxy-2-methylPyrimidine
CID 58293651
4,6-Dichloro-2-(ethoxymethyl)pyrimidine
CID 65669367
4,6-Dichloro-2-(1-methoxyethyl)pyrimidine
CID 79617116
2,4-Dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine
CID 87758080
4,6-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 103473548
4,6-Dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine
CID 175548643
2-(4,6-Dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine
CID 80550167
4,6-Dichloro-2-(ethoxymethyl)-5-fluoropyrimidine
CID 80550169
4,6-Dichloro-5-fluoro-2-(oxolan-2-yl)pyrimidine
CID 80550207

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine (CID 80550343) is 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine is COC(C)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine?
The InChIKey is RMIFAWRTUMDPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2O/c1-3(13-2)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine has a molecular weight of 225.05 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(1-methoxyethyl)pyrimidine is sourced from PubChem (CID 80550343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).