1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C16H20F3N5O2 — CID 70754091

IUPAC1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)CN3CCCC3=O)CC2)n1
InChIInChI=1S/C16H20F3N5O2/c1-11-9-12(16(17,18)19)21-15(20-11)23-7-5-22(6-8-23)14(26)10-24-4-2-3-13(24)25/h9H,2-8,10H2,1H3
InChIKeyITGSIKDZLLLVBO-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.07
Rot. Bonds3

About 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 70754091) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID70754091
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)CN3CCCC3=O)CC2)n1
InChIInChI=1S/C16H20F3N5O2/c1-11-9-12(16(17,18)19)21-15(20-11)23-7-5-22(6-8-23)14(26)10-24-4-2-3-13(24)25/h9H,2-8,10H2,1H3
InChIKeyITGSIKDZLLLVBO-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 2909654
Ethyl 4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 2987674
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-propionamide
CID 3130268
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-acetamide
CID 1903179
1-(4,6-Dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one
CID 742816
4-[(4,6-Dimethyl-2-pyrimidinyl)amino]-1-methyl-2-pyrrolidinone
CID 45182021
5-((4,6-Dimethylpyrimidin-2-yl)amino)-1-methylpiperidin-2-one
CID 64668602
1-Tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 71982265
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-4-(1-piperidinyl)butanamide
CID 72873319
3-(1-methyl-2-piperidinyl)-N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}propanamide
CID 72936838
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide
CID 110259079

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 70754091) is 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)CN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is ITGSIKDZLLLVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-11-9-12(16(17,18)19)21-15(20-11)23-7-5-22(6-8-23)14(26)10-24-4-2-3-13(24)25/h9H,2-8,10H2,1H3.
What are the key properties of 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 371.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 70754091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).