3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one

C13H8ClN3O2 — CID 135602152

IUPAC3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(O)nc2cnccn12
InChIInChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)11-12(18)16-10-7-15-5-6-17(10)13(11)19/h1-7,18H
InChIKeyXGBIPLRDJSAQEU-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.12
Rot. Bonds1

About 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one

3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one (PubChem CID 135602152) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one
PubChem CID135602152
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(O)nc2cnccn12
InChIInChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)11-12(18)16-10-7-15-5-6-17(10)13(11)19/h1-7,18H
InChIKeyXGBIPLRDJSAQEU-UHFFFAOYSA-N
XLogP2.12
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-Chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 12527417
2-hydroxy-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135399285
3-benzyl-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454301
4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-hydroxy-3-phenyl-
CID 135574819
4H-Pyrazino(1,2-a)pyrimidin-4-one, 3-(p-chlorophenyl)-2-(2-morpholinoethoxy)-, hydrobromide
CID 88852
4H-Pyrazino(1,2-a)pyrimidin-4-one, 3-(p-chlorophenyl)-2-(3-diethylaminopropoxy)-, hydrobromide
CID 87667
4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-
CID 3007394
2-hydroxy-8-methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135445449
7-[2-(4-Chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136507751
5-(4-Chlorophenyl)pyrimidine-4,6-diol
CID 3497126
2-butyl-3-(4-chloro-3-fluorophenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24993437
3-(4-chlorophenyl)-2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24993438

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one (CID 135602152) is 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one is O=c1c(-c2ccc(Cl)cc2)c(O)nc2cnccn12.
What is the InChIKey of 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is XGBIPLRDJSAQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)11-12(18)16-10-7-15-5-6-17(10)13(11)19/h1-7,18H.
What are the key properties of 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one?
3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 273.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135602152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).