3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one

C24H24N4O3S2 — CID 135996184

IUPAC3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCN(c4ccccc4)CC3)nc2s1
InChIInChI=1S/C24H24N4O3S2/c1-17-14-20-22(33-17)25-24(28(23(20)30)15-19-8-5-13-31-19)32-16-21(29)27-11-9-26(10-12-27)18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyZLAIONNDUNFCGX-UHFFFAOYSA-N
MW480.62 g/mol
LogP3.85
Rot. Bonds6

About 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one

3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 135996184) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID135996184
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCN(c4ccccc4)CC3)nc2s1
InChIInChI=1S/C24H24N4O3S2/c1-17-14-20-22(33-17)25-24(28(23(20)30)15-19-8-5-13-31-19)32-16-21(29)27-11-9-26(10-12-27)18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyZLAIONNDUNFCGX-UHFFFAOYSA-N
XLogP3.85
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488777
N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488765
2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 6488760
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488794
N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]butanamide
CID 6616251
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 6458768
2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 8557711
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 2481575
2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 16541200
6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 6488789
N,3-bis(furan-2-ylmethyl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazoline-7-carboxamide
CID 3244884
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
CID 46607962

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one (CID 135996184) is 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCN(c4ccccc4)CC3)nc2s1.
What is the InChIKey of 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZLAIONNDUNFCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-17-14-20-22(33-17)25-24(28(23(20)30)15-19-8-5-13-31-19)32-16-21(29)27-11-9-26(10-12-27)18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one?
3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 480.62 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135996184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).