6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one

C18H22F3N5O — CID 126942174

IUPAC6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1
InChIInChI=1S/C18H22F3N5O/c1-12(2)14-7-17(27)26(11-24-14)9-13-3-5-25(6-4-13)16-8-15(18(19,20)21)22-10-23-16/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyMEBJIOXMUWBTJK-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.09
Rot. Bonds4

About 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one

6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126942174) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126942174
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1
InChIInChI=1S/C18H22F3N5O/c1-12(2)14-7-17(27)26(11-24-14)9-13-3-5-25(6-4-13)16-8-15(18(19,20)21)22-10-23-16/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyMEBJIOXMUWBTJK-UHFFFAOYSA-N
XLogP3.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
1-methyl-3-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazine-1-carbonyl)pyridin-2(1H)-one
CID 91631489
2,2-Dimethyl-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)propan-1-one
CID 91631570
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-YL]piperidine-4-carboxamide
CID 91908812
N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102139
6-oxo-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-1,6-dihydropyridine-3-carboxamide
CID 91631417
5,6-dimethyl-3-(2-oxo-2-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 91631513
N,N-dimethyl-4-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 132426769
1-[[1-[2,6-Bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554115
Tert-butyl 4-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]piperidine-1-carboxylate
CID 59178950
4-Methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 118233174

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126942174) is 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1.
What is the InChIKey of 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is MEBJIOXMUWBTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-12(2)14-7-17(27)26(11-24-14)9-13-3-5-25(6-4-13)16-8-15(18(19,20)21)22-10-23-16/h7-8,10-13H,3-6,9H2,1-2H3.
What are the key properties of 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 381.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126942174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).