4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine

C14H13Cl2FN2O — CID 79437789

IUPAC4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine
SMILESCCOC(C)c1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C14H13Cl2FN2O/c1-3-20-8(2)14-18-12(15)11(13(16)19-14)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3
InChIKeyMCYLMBFAVBDOPZ-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.69
Rot. Bonds4

About 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine

4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine (PubChem CID 79437789) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine
PubChem CID79437789
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine
SMILESCCOC(C)c1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C14H13Cl2FN2O/c1-3-20-8(2)14-18-12(15)11(13(16)19-14)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3
InChIKeyMCYLMBFAVBDOPZ-UHFFFAOYSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine (CID 79437789) is 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine is CCOC(C)c1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine?
The InChIKey is MCYLMBFAVBDOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-3-20-8(2)14-18-12(15)11(13(16)19-14)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine?
4,6-dichloro-2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine has a molecular weight of 315.18 g/mol, XLogP of 4.69, 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-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 79437789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).