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

C16H18F3N5O2 — CID 126943759

IUPAC3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1cnc(N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)cc1=O
InChIInChI=1S/C16H18F3N5O2/c1-22-9-21-13(7-14(22)25)23-4-2-11(3-5-23)8-24-10-20-12(6-15(24)26)16(17,18)19/h6-7,9-11H,2-5,8H2,1H3
InChIKeyKYEONAXICJSZFC-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.27
Rot. Bonds3

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

3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943759) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943759
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1cnc(N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)cc1=O
InChIInChI=1S/C16H18F3N5O2/c1-22-9-21-13(7-14(22)25)23-4-2-11(3-5-23)8-24-10-20-12(6-15(24)26)16(17,18)19/h6-7,9-11H,2-5,8H2,1H3
InChIKeyKYEONAXICJSZFC-UHFFFAOYSA-N
XLogP1.27
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-Methyl-6-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyrimidin-4-one
CID 126819719
3-[(1-Cyclopropanecarbonylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943354
3-[(1-Cyclobutanecarbonylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943370
3-{[1-(Morpholine-4-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943385
N-cyclopentyl-4-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidine-1-carboxamide
CID 126943388
3-{[1-(1-Methylpiperidine-3-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943396
3-{[1-(1-Methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943416
3-{[1-(Pyrrolidine-1-sulfonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943448
3-{[1-(Propan-2-yl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943476
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943477
3-{[1-(2-Methoxyethyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943478
3-{[1-(2-Methylpropyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943479

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943759) is 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is Cn1cnc(N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)cc1=O.
What is the InChIKey of 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is KYEONAXICJSZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-22-9-21-13(7-14(22)25)23-4-2-11(3-5-23)8-24-10-20-12(6-15(24)26)16(17,18)19/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 369.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).