2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine

C17H13Cl2F3N4O2 — CID 123380768

IUPAC2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine
SMILESFC(F)(F)C1CC=NC(Oc2ccc(CCOc3nc(Cl)ncc3Cl)cc2)=N1
InChIInChI=1S/C17H13Cl2F3N4O2/c18-12-9-24-15(19)26-14(12)27-8-6-10-1-3-11(4-2-10)28-16-23-7-5-13(25-16)17(20,21)22/h1-4,7,9,13H,5-6,8H2
InChIKeyMIVWQCDOSRQJKR-UHFFFAOYSA-N
MW433.22 g/mol
LogP4.55
Rot. Bonds5

About 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine

2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine (PubChem CID 123380768) has the molecular formula C17H13Cl2F3N4O2 and a molecular weight of 433.22 g/mol. Its IUPAC name is 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine
PubChem CID123380768
Molecular FormulaC17H13Cl2F3N4O2
Molecular Weight433.22 g/mol
Exact Mass432.04
IUPAC Name2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine
SMILESFC(F)(F)C1CC=NC(Oc2ccc(CCOc3nc(Cl)ncc3Cl)cc2)=N1
InChIInChI=1S/C17H13Cl2F3N4O2/c18-12-9-24-15(19)26-14(12)27-8-6-10-1-3-11(4-2-10)28-16-23-7-5-13(25-16)17(20,21)22/h1-4,7,9,13H,5-6,8H2
InChIKeyMIVWQCDOSRQJKR-UHFFFAOYSA-N
XLogP4.55
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine?
The IUPAC name of 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine (CID 123380768) is 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine is FC(F)(F)C1CC=NC(Oc2ccc(CCOc3nc(Cl)ncc3Cl)cc2)=N1.
What is the InChIKey of 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine?
The InChIKey is MIVWQCDOSRQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N4O2/c18-12-9-24-15(19)26-14(12)27-8-6-10-1-3-11(4-2-10)28-16-23-7-5-13(25-16)17(20,21)22/h1-4,7,9,13H,5-6,8H2.
What are the key properties of 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine?
2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine has a molecular weight of 433.22 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine is sourced from PubChem (CID 123380768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).