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

C17H20F3N5O2 — CID 126943570

IUPAC3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1c(CN2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)cncc1=O
InChIInChI=1S/C17H20F3N5O2/c1-23-13(7-21-8-16(23)27)10-24-4-2-12(3-5-24)9-25-11-22-14(6-15(25)26)17(18,19)20/h6-8,11-12H,2-5,9-10H2,1H3
InChIKeyYFXCAYRUTQFQQN-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.27
Rot. Bonds4

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

3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943570) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943570
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1c(CN2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)cncc1=O
InChIInChI=1S/C17H20F3N5O2/c1-23-13(7-21-8-16(23)27)10-24-4-2-12(3-5-24)9-25-11-22-14(6-15(25)26)17(18,19)20/h6-8,11-12H,2-5,9-10H2,1H3
InChIKeyYFXCAYRUTQFQQN-UHFFFAOYSA-N
XLogP1.27
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 126943476
CID 126943476
CID 126943479
CID 126943479
CID 126943480
CID 126943480
CID 126943482
CID 126943482
CID 126943483
CID 126943483
CID 126943486
CID 126943486
CID 126943507
CID 126943507
CID 126943535
CID 126943535
CID 126943561
CID 126943561
CID 126943563
CID 126943563
CID 126943564
CID 126943564
CID 126943566
CID 126943566

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943570) is 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is Cn1c(CN2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)cncc1=O.
What is the InChIKey of 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is YFXCAYRUTQFQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-23-13(7-21-8-16(23)27)10-24-4-2-12(3-5-24)9-25-11-22-14(6-15(25)26)17(18,19)20/h6-8,11-12H,2-5,9-10H2,1H3.
What are the key properties of 3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 383.37 g/mol, XLogP of 1.27, 4 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-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).