5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one

C22H26N4O3 — CID 53024087

IUPAC5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one
SMILESCc1cccc(N2CCN(C(=O)Cn3cnc4oc(C)c(C)c4c3=O)CC2C)c1
InChIInChI=1S/C22H26N4O3/c1-14-6-5-7-18(10-14)26-9-8-24(11-15(26)2)19(27)12-25-13-23-21-20(22(25)28)16(3)17(4)29-21/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyYPRMDSWYUUWHMB-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.65
Rot. Bonds3

About 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one (PubChem CID 53024087) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one
PubChem CID53024087
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one
SMILESCc1cccc(N2CCN(C(=O)Cn3cnc4oc(C)c(C)c4c3=O)CC2C)c1
InChIInChI=1S/C22H26N4O3/c1-14-6-5-7-18(10-14)26-9-8-24(11-15(26)2)19(27)12-25-13-23-21-20(22(25)28)16(3)17(4)29-21/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyYPRMDSWYUUWHMB-UHFFFAOYSA-N
XLogP2.65
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 20922476
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 46295476
5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 53024170
(1R,2R,6S,7R)-4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98228796
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 50802548
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 20851364
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone;ethane
CID 142843212
3-methyl-5-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazino[4,5-b]indol-4-one
CID 95059152
3-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 136914669
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 20880091

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one (CID 53024087) is 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one is Cc1cccc(N2CCN(C(=O)Cn3cnc4oc(C)c(C)c4c3=O)CC2C)c1.
What is the InChIKey of 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one?
The InChIKey is YPRMDSWYUUWHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-6-5-7-18(10-14)26-9-8-24(11-15(26)2)19(27)12-25-13-23-21-20(22(25)28)16(3)17(4)29-21/h5-7,10,13,15H,8-9,11-12H2,1-4H3.
What are the key properties of 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one has a molecular weight of 394.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53024087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).