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

C16H18F3N5O2 — CID 126943507

IUPAC1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)c1=O
InChIInChI=1S/C16H18F3N5O2/c1-22-7-4-20-14(15(22)26)23-5-2-11(3-6-23)9-24-10-21-12(8-13(24)25)16(17,18)19/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyBKDMHMHBVYMQPP-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.27
Rot. Bonds3

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

1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one (PubChem CID 126943507) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one
PubChem CID126943507
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)c1=O
InChIInChI=1S/C16H18F3N5O2/c1-22-7-4-20-14(15(22)26)23-5-2-11(3-6-23)9-24-10-21-12(8-13(24)25)16(17,18)19/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyBKDMHMHBVYMQPP-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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one (CID 126943507) is 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one?
The InChIKey is BKDMHMHBVYMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-22-7-4-20-14(15(22)26)23-5-2-11(3-6-23)9-24-10-21-12(8-13(24)25)16(17,18)19/h4,7-8,10-11H,2-3,5-6,9H2,1H3.
What are the key properties of 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-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 1-methyl-3-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 126943507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).