1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione

C26H24N4O3 — CID 112816698

IUPAC1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-23-13-15-28(18-20-8-3-1-4-9-20)26(33)30(23)19-24(32)29-17-16-27-14-7-12-22(27)25(29)21-10-5-2-6-11-21/h1-15,25H,16-19H2
InChIKeyNEIDWSONORBWDZ-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.49
Rot. Bonds5

About 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione

1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 112816698) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID112816698
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-23-13-15-28(18-20-8-3-1-4-9-20)26(33)30(23)19-24(32)29-17-16-27-14-7-12-22(27)25(29)21-10-5-2-6-11-21/h1-15,25H,16-19H2
InChIKeyNEIDWSONORBWDZ-UHFFFAOYSA-N
XLogP2.49
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
CID 146128915
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 129467529
3-(3-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 134054526
1-benzyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 9269366
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-benzylpyrimidine-2,4-dione;hydrochloride
CID 119519138
3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-benzylpyrimidine-2,4-dione
CID 41412063
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
1-methyl-3-[4-oxo-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]imidazolidine-2,4-dione
CID 134054478

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione (CID 112816698) is 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCn2cccc2C1c1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is NEIDWSONORBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-23-13-15-28(18-20-8-3-1-4-9-20)26(33)30(23)19-24(32)29-17-16-27-14-7-12-22(27)25(29)21-10-5-2-6-11-21/h1-15,25H,16-19H2.
What are the key properties of 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione?
1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 440.50 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112816698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).