4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine

C7H7Cl2FN2O — CID 80550169

IUPAC4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine
SMILESCCOCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2O/c1-2-13-3-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3
InChIKeyODBGOHSABUVLSZ-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.46
Rot. Bonds3

About 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine

4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine (PubChem CID 80550169) has the molecular formula C7H7Cl2FN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine
PubChem CID80550169
Molecular FormulaC7H7Cl2FN2O
Molecular Weight225.05 g/mol
Exact Mass223.99
IUPAC Name4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine
SMILESCCOCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2O/c1-2-13-3-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3
InChIKeyODBGOHSABUVLSZ-UHFFFAOYSA-N
XLogP2.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-2-(ethoxymethyl)pyrimidine
CID 65669367
4-(4,6-Dichloro-5-fluoropyrimidin-2-yl)morpholine
CID 59507617
4,6-Dichloro-2-(1-methoxyethyl)pyrimidine
CID 79617116
Methyl 4,6-dichloro-5-fluoropyrimidine-2-carboxylate
CID 80550148
4-Chloro-5-fluoro-2-(methoxymethyl)pyrimidine
CID 40151944
4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)morpholine
CID 86644126
4,6-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 103473548
(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine
CID 155376064
4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine
CID 155376214

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine (CID 80550169) is 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine is CCOCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine?
The InChIKey is ODBGOHSABUVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2O/c1-2-13-3-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3.
What are the key properties of 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine?
4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine has a molecular weight of 225.05 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(ethoxymethyl)-5-fluoropyrimidine is sourced from PubChem (CID 80550169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).