(6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone

C12H14F3N3O2 — CID 167989329

IUPAC(6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCCC2C(F)(F)F)ncn1
InChIInChI=1S/C12H14F3N3O2/c1-20-10-6-8(16-7-17-10)11(19)18-5-3-2-4-9(18)12(13,14)15/h6-7,9H,2-5H2,1H3
InChIKeyABNOSFKIYHHVAZ-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.04
Rot. Bonds2

About (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone

(6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 167989329) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID167989329
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name(6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCCC2C(F)(F)F)ncn1
InChIInChI=1S/C12H14F3N3O2/c1-20-10-6-8(16-7-17-10)11(19)18-5-3-2-4-9(18)12(13,14)15/h6-7,9H,2-5H2,1H3
InChIKeyABNOSFKIYHHVAZ-UHFFFAOYSA-N
XLogP2.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone (CID 167989329) is (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCCCC2C(F)(F)F)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ABNOSFKIYHHVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-20-10-6-8(16-7-17-10)11(19)18-5-3-2-4-9(18)12(13,14)15/h6-7,9H,2-5H2,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone?
(6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 289.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-[2-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 167989329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).