2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C14H14F3N3O — CID 115053369

IUPAC2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-2-1-5-20-12(21)7-10(19-13(11)20)6-9-3-4-18-8-9/h1-2,5,7,9,18H,3-4,6,8H2
InChIKeyYPBNJPSCVARLSG-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.87
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115053369) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115053369
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-2-1-5-20-12(21)7-10(19-13(11)20)6-9-3-4-18-8-9/h1-2,5,7,9,18H,3-4,6,8H2
InChIKeyYPBNJPSCVARLSG-UHFFFAOYSA-N
XLogP1.87
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115044937
9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054752
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054699
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117136126
8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 115053231

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115053369) is 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCNC2)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YPBNJPSCVARLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-2-1-5-20-12(21)7-10(19-13(11)20)6-9-3-4-18-8-9/h1-2,5,7,9,18H,3-4,6,8H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115053369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).