1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone

C18H14F2N4O2 — CID 157155897

IUPAC1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1
InChIInChI=1S/C18H14F2N4O2/c1-11-2-3-12(23-7-11)4-17(25)15-5-13(6-16(24-15)18(19)20)26-14-8-21-10-22-9-14/h2-3,5-10,18H,4H2,1H3
InChIKeyQWXNNXGREWJSRP-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.73
Rot. Bonds6

About 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone

1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 157155897) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID157155897
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1
InChIInChI=1S/C18H14F2N4O2/c1-11-2-3-12(23-7-11)4-17(25)15-5-13(6-16(24-15)18(19)20)26-14-8-21-10-22-9-14/h2-3,5-10,18H,4H2,1H3
InChIKeyQWXNNXGREWJSRP-UHFFFAOYSA-N
XLogP3.73
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (CID 157155897) is 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.
What is the InChIKey of 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is QWXNNXGREWJSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-11-2-3-12(23-7-11)4-17(25)15-5-13(6-16(24-15)18(19)20)26-14-8-21-10-22-9-14/h2-3,5-10,18H,4H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 356.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 157155897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).