[4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

C17H24F3N5O — CID 56885882

IUPAC[4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(N2CCNC(C(=O)N3CCCC3)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C17H24F3N5O/c1-11(2)12-9-14(23-16(22-12)17(18,19)20)25-8-5-21-13(10-25)15(26)24-6-3-4-7-24/h9,11,13,21H,3-8,10H2,1-2H3
InChIKeyAJHPFMLISBHZRP-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.02
Rot. Bonds3

About [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

[4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56885882) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56885882
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name[4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(N2CCNC(C(=O)N3CCCC3)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C17H24F3N5O/c1-11(2)12-9-14(23-16(22-12)17(18,19)20)25-8-5-21-13(10-25)15(26)24-6-3-4-7-24/h9,11,13,21H,3-8,10H2,1-2H3
InChIKeyAJHPFMLISBHZRP-UHFFFAOYSA-N
XLogP2.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide
CID 46974097
N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
CID 46974099
1-[4-[6-(2-Aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 46974238
N-{2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50950552
2-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
CID 50968814
2-{4-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl}acetamide
CID 50974744
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 56713348
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 56713366
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
CID 70775966

Frequently Asked Questions

What is the IUPAC name of [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56885882) is [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is CC(C)c1cc(N2CCNC(C(=O)N3CCCC3)C2)nc(C(F)(F)F)n1.
What is the InChIKey of [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AJHPFMLISBHZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-11(2)12-9-14(23-16(22-12)17(18,19)20)25-8-5-21-13(10-25)15(26)24-6-3-4-7-24/h9,11,13,21H,3-8,10H2,1-2H3.
What are the key properties of [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56885882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).