2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one

C20H19N3O2 — CID 125450654

IUPAC2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccc(OCc3ccccc3)cc2)nc2n1CCNC2
InChIInChI=1S/C20H19N3O2/c24-20-12-18(22-19-13-21-10-11-23(19)20)16-6-8-17(9-7-16)25-14-15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2
InChIKeyOKJCXNSUSIOOIJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one

2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (PubChem CID 125450654) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
PubChem CID125450654
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccc(OCc3ccccc3)cc2)nc2n1CCNC2
InChIInChI=1S/C20H19N3O2/c24-20-12-18(22-19-13-21-10-11-23(19)20)16-6-8-17(9-7-16)25-14-15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2
InChIKeyOKJCXNSUSIOOIJ-UHFFFAOYSA-N
XLogP2.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole
CID 57130327
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 165390866
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one
CID 66879244
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957903
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (CID 125450654) is 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccc(OCc3ccccc3)cc2)nc2n1CCNC2.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is OKJCXNSUSIOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20-12-18(22-19-13-21-10-11-23(19)20)16-6-8-17(9-7-16)25-14-15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).