5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

C16H16F3N5O2 — CID 91631636

IUPAC5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N5O2/c1-10-21-12(16(17,18)19)8-13(22-10)23-4-6-24(7-5-23)15(26)11-2-3-14(25)20-9-11/h2-3,8-9H,4-7H2,1H3,(H,20,25)
InChIKeyJFCJVJUREDKERA-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.45
Rot. Bonds2

About 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91631636) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID91631636
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N5O2/c1-10-21-12(16(17,18)19)8-13(22-10)23-4-6-24(7-5-23)15(26)11-2-3-14(25)20-9-11/h2-3,8-9H,4-7H2,1H3,(H,20,25)
InChIKeyJFCJVJUREDKERA-UHFFFAOYSA-N
XLogP1.45
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 91631636) is 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1nc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is JFCJVJUREDKERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-10-21-12(16(17,18)19)8-13(22-10)23-4-6-24(7-5-23)15(26)11-2-3-14(25)20-9-11/h2-3,8-9H,4-7H2,1H3,(H,20,25).
What are the key properties of 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 367.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91631636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).