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

C15H15ClF3N5O — CID 137289038

IUPAC5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCN(CC(F)(F)F)CC2)c1Cl
InChIInChI=1S/C15H15ClF3N5O/c16-11-13(24-7-5-23(6-8-24)9-15(17,18)19)21-12(22-14(11)25)10-1-3-20-4-2-10/h1-4H,5-9H2,(H,21,22,25)
InChIKeyIESAFFHDMVQXGQ-UHFFFAOYSA-N
MW373.77 g/mol
LogP2.17
Rot. Bonds3

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

5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137289038) has the molecular formula C15H15ClF3N5O and a molecular weight of 373.77 g/mol. Its IUPAC name is 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137289038
Molecular FormulaC15H15ClF3N5O
Molecular Weight373.77 g/mol
Exact Mass373.09
IUPAC Name5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCN(CC(F)(F)F)CC2)c1Cl
InChIInChI=1S/C15H15ClF3N5O/c16-11-13(24-7-5-23(6-8-24)9-15(17,18)19)21-12(22-14(11)25)10-1-3-20-4-2-10/h1-4H,5-9H2,(H,21,22,25)
InChIKeyIESAFFHDMVQXGQ-UHFFFAOYSA-N
XLogP2.17
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137289038) is 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncc2)nc(N2CCN(CC(F)(F)F)CC2)c1Cl.
What is the InChIKey of 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is IESAFFHDMVQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5O/c16-11-13(24-7-5-23(6-8-24)9-15(17,18)19)21-12(22-14(11)25)10-1-3-20-4-2-10/h1-4H,5-9H2,(H,21,22,25).
What are the key properties of 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 373.77 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-4-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137289038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).