1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one

C22H27F3N4O — CID 92618137

IUPAC1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H27F3N4O/c1-14(2)20(30)29-11-9-16(10-12-29)19-18(13-26-21(27-19)28(3)4)15-5-7-17(8-6-15)22(23,24)25/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyYDSDVPLWMFRGAZ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.59
Rot. Bonds4

About 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 92618137) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID92618137
Molecular FormulaC22H27F3N4O
Molecular Weight420.48 g/mol
Exact Mass420.21
IUPAC Name1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H27F3N4O/c1-14(2)20(30)29-11-9-16(10-12-29)19-18(13-26-21(27-19)28(3)4)15-5-7-17(8-6-15)22(23,24)25/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyYDSDVPLWMFRGAZ-UHFFFAOYSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175662742
[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92618212
1-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110266304
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500
[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92618214
6-[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 92618393
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
1-[4-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92618094
1-[2-[(3S)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92617363
1-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 127251089
1-[4-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-methylprop-2-en-1-one
CID 175655401
3-[4-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92618231

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 92618137) is 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YDSDVPLWMFRGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O/c1-14(2)20(30)29-11-9-16(10-12-29)19-18(13-26-21(27-19)28(3)4)15-5-7-17(8-6-15)22(23,24)25/h5-8,13-14,16H,9-12H2,1-4H3.
What are the key properties of 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 420.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 92618137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).