5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine

C9H10ClF3N2O2 — CID 13086913

IUPAC5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(OCC)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O2/c1-3-16-7-5(10)6(9(11,12)13)14-8(15-7)17-4-2/h3-4H2,1-2H3
InChIKeyIHTGGZBXNIDYAY-UHFFFAOYSA-N
MW270.64 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine

5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 13086913) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine
PubChem CID13086913
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(OCC)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O2/c1-3-16-7-5(10)6(9(11,12)13)14-8(15-7)17-4-2/h3-4H2,1-2H3
InChIKeyIHTGGZBXNIDYAY-UHFFFAOYSA-N
XLogP2.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine (CID 13086913) is 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine is CCOc1nc(OCC)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is IHTGGZBXNIDYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2/c1-3-16-7-5(10)6(9(11,12)13)14-8(15-7)17-4-2/h3-4H2,1-2H3.
What are the key properties of 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine?
5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 270.64 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13086913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).