2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine

C9H5F3N4O — CID 172690256

IUPAC2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2ncccn2)n1
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)6-2-5-15-8(16-6)17-7-13-3-1-4-14-7/h1-5H
InChIKeyAXOWNFVNLWDRGJ-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.08
Rot. Bonds2

About 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine

2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine (PubChem CID 172690256) has the molecular formula C9H5F3N4O and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
PubChem CID172690256
Molecular FormulaC9H5F3N4O
Molecular Weight242.16 g/mol
Exact Mass242.04
IUPAC Name2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2ncccn2)n1
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)6-2-5-15-8(16-6)17-7-13-3-1-4-14-7/h1-5H
InChIKeyAXOWNFVNLWDRGJ-UHFFFAOYSA-N
XLogP2.08
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine (CID 172690256) is 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Oc2ncccn2)n1.
What is the InChIKey of 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is AXOWNFVNLWDRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O/c10-9(11,12)6-2-5-15-8(16-6)17-7-13-3-1-4-14-7/h1-5H.
What are the key properties of 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine?
2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 242.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 172690256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).