4-methoxy-6-(trifluoromethyl)pyrimidine

C6H5F3N2O — CID 18953277

IUPAC4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C6H5F3N2O/c1-12-5-2-4(6(7,8)9)10-3-11-5/h2-3H,1H3
InChIKeyKCYFPOLHJZXCEE-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.50
Rot. Bonds1

About 4-methoxy-6-(trifluoromethyl)pyrimidine

4-methoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 18953277) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 4-methoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(trifluoromethyl)pyrimidine
PubChem CID18953277
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C6H5F3N2O/c1-12-5-2-4(6(7,8)9)10-3-11-5/h2-3H,1H3
InChIKeyKCYFPOLHJZXCEE-UHFFFAOYSA-N
XLogP1.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-(trifluoromethyl)pyrimidine (CID 18953277) is 4-methoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 4-methoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is KCYFPOLHJZXCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-12-5-2-4(6(7,8)9)10-3-11-5/h2-3H,1H3.
What are the key properties of 4-methoxy-6-(trifluoromethyl)pyrimidine?
4-methoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 178.11 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 18953277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).