2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

C16H24F3N5O — CID 70787567

IUPAC2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)CN(C)C)CC2)n1
InChIInChI=1S/C16H24F3N5O/c1-11(2)12-9-13(16(17,18)19)21-15(20-12)24-7-5-23(6-8-24)14(25)10-22(3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyQLSWORGQCZMZLP-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.83
Rot. Bonds4

About 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 70787567) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID70787567
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)CN(C)C)CC2)n1
InChIInChI=1S/C16H24F3N5O/c1-11(2)12-9-13(16(17,18)19)21-15(20-12)24-7-5-23(6-8-24)14(25)10-22(3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyQLSWORGQCZMZLP-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-acetamide
CID 1903179
2-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
CID 50968814
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56903888
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanamine
CID 70751277
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-4-(1-piperidinyl)butanamide
CID 72873319
3-(1-methyl-3-piperidinyl)-N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}propanamide
CID 72905948
1-[4-[3-(4,6-Dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110271113
2-[2-Methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 118739924
2-(4-{[4-(4,6-Dimethyl-2-pyrimidinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)acetamide
CID 70726880
N-(2-{3-[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethyl)urea
CID 56899620

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 70787567) is 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)CN(C)C)CC2)n1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is QLSWORGQCZMZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O/c1-11(2)12-9-13(16(17,18)19)21-15(20-12)24-7-5-23(6-8-24)14(25)10-22(3)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 359.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70787567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).