5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one

C21H24N4O3 — CID 53209286

IUPAC5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C)c(N2CCN(C(=O)c3c(C)oc4ncn(C)c(=O)c34)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-13-5-6-14(2)16(11-13)24-7-9-25(10-8-24)21(27)17-15(3)28-19-18(17)20(26)23(4)12-22-19/h5-6,11-12H,7-10H2,1-4H3
InChIKeyUGMMYGOEVMGEEV-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds2

About 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one

5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one (PubChem CID 53209286) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
PubChem CID53209286
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C)c(N2CCN(C(=O)c3c(C)oc4ncn(C)c(=O)c34)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-13-5-6-14(2)16(11-13)24-7-9-25(10-8-24)21(27)17-15(3)28-19-18(17)20(26)23(4)12-22-19/h5-6,11-12H,7-10H2,1-4H3
InChIKeyUGMMYGOEVMGEEV-UHFFFAOYSA-N
XLogP2.41
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119135835
1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119135716
N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 55688895
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 20925098
3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 55683104
3,6-dimethyl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 55973975
6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950187
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511296
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55892404
6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950188
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891411

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one (CID 53209286) is 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one is Cc1ccc(C)c(N2CCN(C(=O)c3c(C)oc4ncn(C)c(=O)c34)CC2)c1.
What is the InChIKey of 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is UGMMYGOEVMGEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-5-6-14(2)16(11-13)24-7-9-25(10-8-24)21(27)17-15(3)28-19-18(17)20(26)23(4)12-22-19/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53209286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).