5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine

C17H11F4N3O2 — CID 135235905

IUPAC5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(-c2cncnc2Oc2ccc(C(F)F)nc2)c(F)cc1F
InChIInChI=1S/C17H11F4N3O2/c1-25-15-4-10(12(18)5-13(15)19)11-7-22-8-24-17(11)26-9-2-3-14(16(20)21)23-6-9/h2-8,16H,1H3
InChIKeyNGRLELUAVLCPMB-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.56
Rot. Bonds5

About 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine

5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 135235905) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID135235905
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC Name5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(-c2cncnc2Oc2ccc(C(F)F)nc2)c(F)cc1F
InChIInChI=1S/C17H11F4N3O2/c1-25-15-4-10(12(18)5-13(15)19)11-7-22-8-24-17(11)26-9-2-3-14(16(20)21)23-6-9/h2-8,16H,1H3
InChIKeyNGRLELUAVLCPMB-UHFFFAOYSA-N
XLogP4.56
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine (CID 135235905) is 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine is COc1cc(-c2cncnc2Oc2ccc(C(F)F)nc2)c(F)cc1F.
What is the InChIKey of 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is NGRLELUAVLCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/c1-25-15-4-10(12(18)5-13(15)19)11-7-22-8-24-17(11)26-9-2-3-14(16(20)21)23-6-9/h2-8,16H,1H3.
What are the key properties of 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine?
5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 365.29 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 135235905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).