4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine

C8H8ClF3N2O2 — CID 58203543

IUPAC4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESCOc1nc(Cl)c(CC(F)(F)F)c(OC)n1
InChIInChI=1S/C8H8ClF3N2O2/c1-15-6-4(3-8(10,11)12)5(9)13-7(14-6)16-2/h3H2,1-2H3
InChIKeyBWWFBYPNBDGMJM-UHFFFAOYSA-N
MW256.61 g/mol
LogP2.25
Rot. Bonds3

About 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine

4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 58203543) has the molecular formula C8H8ClF3N2O2 and a molecular weight of 256.61 g/mol. Its IUPAC name is 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID58203543
Molecular FormulaC8H8ClF3N2O2
Molecular Weight256.61 g/mol
Exact Mass256.02
IUPAC Name4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESCOc1nc(Cl)c(CC(F)(F)F)c(OC)n1
InChIInChI=1S/C8H8ClF3N2O2/c1-15-6-4(3-8(10,11)12)5(9)13-7(14-6)16-2/h3H2,1-2H3
InChIKeyBWWFBYPNBDGMJM-UHFFFAOYSA-N
XLogP2.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine (CID 58203543) is 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine is COc1nc(Cl)c(CC(F)(F)F)c(OC)n1.
What is the InChIKey of 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is BWWFBYPNBDGMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2/c1-15-6-4(3-8(10,11)12)5(9)13-7(14-6)16-2/h3H2,1-2H3.
What are the key properties of 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine?
4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 256.61 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethoxy-5-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 58203543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).