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

C24H28N6O2S — CID 143437614

IUPAC6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3cccc(S(=O)N4CCCCC4)c3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C24H28N6O2S/c1-16-21(17(2)30-14-11-25-23(31)22(16)30)20-9-10-26-24(28-20)27-18-7-6-8-19(15-18)33(32)29-12-4-3-5-13-29/h6-10,15H,3-5,11-14H2,1-2H3,(H,25,31)(H,26,27,28)
InChIKeyLWKDSFIJAVRWFQ-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.56
Rot. Bonds5

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

6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 143437614) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID143437614
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3cccc(S(=O)N4CCCCC4)c3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C24H28N6O2S/c1-16-21(17(2)30-14-11-25-23(31)22(16)30)20-9-10-26-24(28-20)27-18-7-6-8-19(15-18)33(32)29-12-4-3-5-13-29/h6-10,15H,3-5,11-14H2,1-2H3,(H,25,31)(H,26,27,28)
InChIKeyLWKDSFIJAVRWFQ-UHFFFAOYSA-N
XLogP3.56
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16666441
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-[(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
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
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-[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
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
2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 59185823
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-(1-methylpiperidin-4-yl)benzamide
CID 59185793

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 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) is 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1c(-c2ccnc(Nc3cccc(S(=O)N4CCCCC4)c3)n2)c(C)n2c1C(=O)NCC2.
What is the InChIKey of 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LWKDSFIJAVRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-16-21(17(2)30-14-11-25-23(31)22(16)30)20-9-10-26-24(28-20)27-18-7-6-8-19(15-18)33(32)29-12-4-3-5-13-29/h6-10,15H,3-5,11-14H2,1-2H3,(H,25,31)(H,26,27,28).
What are the key properties of 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 464.60 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 143437614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).