4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine

C19H14F6N2OS — CID 15477077

IUPAC4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
SMILESCCCc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F6N2OS/c1-2-3-13-8-16(28-14-9-15(29-10-14)19(23,24)25)27-17(26-13)11-4-6-12(7-5-11)18(20,21)22/h4-10H,2-3H2,1H3
InChIKeyDPVCAYYIFYPLNQ-UHFFFAOYSA-N
MW432.39 g/mol
LogP6.99
Rot. Bonds5

About 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine

4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine (PubChem CID 15477077) has the molecular formula C19H14F6N2OS and a molecular weight of 432.39 g/mol. Its IUPAC name is 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
PubChem CID15477077
Molecular FormulaC19H14F6N2OS
Molecular Weight432.39 g/mol
Exact Mass432.07
IUPAC Name4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
SMILESCCCc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F6N2OS/c1-2-3-13-8-16(28-14-9-15(29-10-14)19(23,24)25)27-17(26-13)11-4-6-12(7-5-11)18(20,21)22/h4-10H,2-3H2,1H3
InChIKeyDPVCAYYIFYPLNQ-UHFFFAOYSA-N
XLogP6.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
The IUPAC name of 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine (CID 15477077) is 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine.
What is the SMILES notation for 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
The canonical SMILES for 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine is CCCc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
The InChIKey is DPVCAYYIFYPLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2OS/c1-2-3-13-8-16(28-14-9-15(29-10-14)19(23,24)25)27-17(26-13)11-4-6-12(7-5-11)18(20,21)22/h4-10H,2-3H2,1H3.
What are the key properties of 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine has a molecular weight of 432.39 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine is sourced from PubChem (CID 15477077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).