7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C26H23N5O2 — CID 16666441

IUPAC7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3cccc(C(=O)c4ccccc4)c3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C26H23N5O2/c1-16-22(17(2)31-14-13-27-25(33)23(16)31)21-11-12-28-26(30-21)29-20-10-6-9-19(15-20)24(32)18-7-4-3-5-8-18/h3-12,15H,13-14H2,1-2H3,(H,27,33)(H,28,29,30)
InChIKeyYBRDXRNGPBQOIY-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.28
Rot. Bonds5

About 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 16666441) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID16666441
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3cccc(C(=O)c4ccccc4)c3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C26H23N5O2/c1-16-22(17(2)31-14-13-27-25(33)23(16)31)21-11-12-28-26(30-21)29-20-10-6-9-19(15-20)24(32)18-7-4-3-5-8-18/h3-12,15H,13-14H2,1-2H3,(H,27,33)(H,28,29,30)
InChIKeyYBRDXRNGPBQOIY-UHFFFAOYSA-N
XLogP4.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dimethyl-7-[2-[3-(3-oxo-3-piperidin-1-ylpropyl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 71200748
6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 143437614
6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16666436
6,8-dimethyl-7-[2-[(2-oxo-1,3-dihydro-2-benzothiophen-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 71200739
N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide
CID 16665425
7-[2-[3-methoxy-4-(methylamino)anilino]pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665959
7-[2-[4-(3,5-dimethylpyrazol-1-yl)anilino]pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665878
4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 59185793
6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665877
6,8-dimethyl-7-[2-[4-(1,2-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665875
N'-diazenyl-4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]benzenecarboximidamide
CID 163540957
4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]-N'-methanimidoylbenzenecarboximidamide
CID 143437608

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 16666441) is 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1c(-c2ccnc(Nc3cccc(C(=O)c4ccccc4)c3)n2)c(C)n2c1C(=O)NCC2.
What is the InChIKey of 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is YBRDXRNGPBQOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-16-22(17(2)31-14-13-27-25(33)23(16)31)21-11-12-28-26(30-21)29-20-10-6-9-19(15-20)24(32)18-7-4-3-5-8-18/h3-12,15H,13-14H2,1-2H3,(H,27,33)(H,28,29,30).
What are the key properties of 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 437.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 16666441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).