2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C19H18F3N5O2 — CID 126943538

IUPAC2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(c2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)14-9-17(28)26(12-23-14)11-13-4-7-25(8-5-13)16-10-18(29)27-6-2-1-3-15(27)24-16/h1-3,6,9-10,12-13H,4-5,7-8,11H2
InChIKeyIRQNMCFWPUYXMJ-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126943538) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID126943538
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(c2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)14-9-17(28)26(12-23-14)11-13-4-7-25(8-5-13)16-10-18(29)27-6-2-1-3-15(27)24-16/h1-3,6,9-10,12-13H,4-5,7-8,11H2
InChIKeyIRQNMCFWPUYXMJ-UHFFFAOYSA-N
XLogP2.19
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 126943538) is 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)F)ncn1CC1CCN(c2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IRQNMCFWPUYXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)14-9-17(28)26(12-23-14)11-13-4-7-25(8-5-13)16-10-18(29)27-6-2-1-3-15(27)24-16/h1-3,6,9-10,12-13H,4-5,7-8,11H2.
What are the key properties of 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 405.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126943538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).