3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one

C15H19FN4O — CID 176681826

IUPAC3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CNCCN1Cc1cnc2ccc(F)cn2c1=O
InChIInChI=1S/C15H19FN4O/c1-15(2)10-17-5-6-19(15)8-11-7-18-13-4-3-12(16)9-20(13)14(11)21/h3-4,7,9,17H,5-6,8,10H2,1-2H3
InChIKeyGVDMOZCXLJOCET-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.02
Rot. Bonds2

About 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one

3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681826) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID176681826
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CNCCN1Cc1cnc2ccc(F)cn2c1=O
InChIInChI=1S/C15H19FN4O/c1-15(2)10-17-5-6-19(15)8-11-7-18-13-4-3-12(16)9-20(13)14(11)21/h3-4,7,9,17H,5-6,8,10H2,1-2H3
InChIKeyGVDMOZCXLJOCET-UHFFFAOYSA-N
XLogP1.02
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681614
3-(6,9-Diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681653
7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681804
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681889
3-(1,4-Diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681935
7-fluoro-3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681970
3-(Aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115019286
4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120811566
4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120811567
8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120811998
8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120811999
7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120813730

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 176681826) is 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one is CC1(C)CNCCN1Cc1cnc2ccc(F)cn2c1=O.
What is the InChIKey of 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GVDMOZCXLJOCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-15(2)10-17-5-6-19(15)8-11-7-18-13-4-3-12(16)9-20(13)14(11)21/h3-4,7,9,17H,5-6,8,10H2,1-2H3.
What are the key properties of 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one?
3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 290.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).