5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C14H13ClF3N5O — CID 137288967

IUPAC5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCNC(C(F)(F)F)C2)c1Cl
InChIInChI=1S/C14H13ClF3N5O/c15-10-12(23-6-5-20-9(7-23)14(16,17)18)21-11(22-13(10)24)8-1-3-19-4-2-8/h1-4,9,20H,5-7H2,(H,21,22,24)
InChIKeyRXPBJPLMMGXAAA-UHFFFAOYSA-N
MW359.74 g/mol
LogP1.83
Rot. Bonds2

About 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137288967) has the molecular formula C14H13ClF3N5O and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137288967
Molecular FormulaC14H13ClF3N5O
Molecular Weight359.74 g/mol
Exact Mass359.08
IUPAC Name5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCNC(C(F)(F)F)C2)c1Cl
InChIInChI=1S/C14H13ClF3N5O/c15-10-12(23-6-5-20-9(7-23)14(16,17)18)21-11(22-13(10)24)8-1-3-19-4-2-8/h1-4,9,20H,5-7H2,(H,21,22,24)
InChIKeyRXPBJPLMMGXAAA-UHFFFAOYSA-N
XLogP1.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137288967) is 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncc2)nc(N2CCNC(C(F)(F)F)C2)c1Cl.
What is the InChIKey of 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is RXPBJPLMMGXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N5O/c15-10-12(23-6-5-20-9(7-23)14(16,17)18)21-11(22-13(10)24)8-1-3-19-4-2-8/h1-4,9,20H,5-7H2,(H,21,22,24).
What are the key properties of 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 359.74 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-4-yl-4-[3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137288967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).