3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one

C14H8Cl2FN3O — CID 176675696

IUPAC3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nccn2c(=O)c1Cl
InChIInChI=1S/C14H8Cl2FN3O/c1-7-11(16)14(21)20-5-4-18-12(13(20)19-7)9-3-2-8(15)6-10(9)17/h2-6H,1H3
InChIKeyYMICFHGIWYMLFJ-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.51
Rot. Bonds1

About 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one

3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 176675696) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID176675696
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nccn2c(=O)c1Cl
InChIInChI=1S/C14H8Cl2FN3O/c1-7-11(16)14(21)20-5-4-18-12(13(20)19-7)9-3-2-8(15)6-10(9)17/h2-6H,1H3
InChIKeyYMICFHGIWYMLFJ-UHFFFAOYSA-N
XLogP3.51
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 176675689
2-(4-chloro-2-fluorophenyl)pyridin-3-ol
CID 83130990
ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 178069931
9-(4-chloro-2-fluorophenyl)-7-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 177151915
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830876
1-(4-chloro-2-fluorophenyl)isoquinoline-7-carboxylic acid
CID 67960991
5-(4-chloro-2-fluorophenyl)-2-(2-methylpropyl)-4-(2-methyl-4-pyridinyl)-1H-pyrimidin-6-one
CID 171591195
8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine
CID 22024491
9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one
CID 177152144
8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one
CID 10384880
N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine
CID 22024605

Frequently Asked Questions

What is the IUPAC name of 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one (CID 176675696) is 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one is Cc1nc2c(-c3ccc(Cl)cc3F)nccn2c(=O)c1Cl.
What is the InChIKey of 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is YMICFHGIWYMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c1-7-11(16)14(21)20-5-4-18-12(13(20)19-7)9-3-2-8(15)6-10(9)17/h2-6H,1H3.
What are the key properties of 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one?
3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 324.14 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176675696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).