4,6-dimethoxy-5-(trifluoromethyl)pyrimidine

C7H7F3N2O2 — CID 118484820

IUPAC4,6-dimethoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(OC)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-13-5-4(7(8,9)10)6(14-2)12-3-11-5/h3H,1-2H3
InChIKeyKVVXZHXPQHWCMW-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.51
Rot. Bonds2

About 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine

4,6-dimethoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 118484820) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-5-(trifluoromethyl)pyrimidine
PubChem CID118484820
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name4,6-dimethoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(OC)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-13-5-4(7(8,9)10)6(14-2)12-3-11-5/h3H,1-2H3
InChIKeyKVVXZHXPQHWCMW-UHFFFAOYSA-N
XLogP1.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine (CID 118484820) is 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine is COc1ncnc(OC)c1C(F)(F)F.
What is the InChIKey of 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is KVVXZHXPQHWCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-13-5-4(7(8,9)10)6(14-2)12-3-11-5/h3H,1-2H3.
What are the key properties of 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine?
4,6-dimethoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 208.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118484820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).