[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C24H24N4O2S — CID 91964872

IUPAC[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccco4)CC3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C24H24N4O2S/c1-2-18-16-19-22(25-21(26-23(19)31-18)15-17-7-4-3-5-8-17)27-10-12-28(13-11-27)24(29)20-9-6-14-30-20/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyGAGJGRNIQFSVEE-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.40
Rot. Bonds5

About [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 91964872) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID91964872
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccco4)CC3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C24H24N4O2S/c1-2-18-16-19-22(25-21(26-23(19)31-18)15-17-7-4-3-5-8-17)27-10-12-28(13-11-27)24(29)20-9-6-14-30-20/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyGAGJGRNIQFSVEE-UHFFFAOYSA-N
XLogP4.40
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 11950157
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 91964890
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062816
2-[6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 59763718
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313
[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 137341507
[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 87802888
[4-[5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 2446392
1-[4-[6-ethyl-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 11950156

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 91964872) is [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is CCc1cc2c(N3CCN(C(=O)c4ccco4)CC3)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GAGJGRNIQFSVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-18-16-19-22(25-21(26-23(19)31-18)15-17-7-4-3-5-8-17)27-10-12-28(13-11-27)24(29)20-9-6-14-30-20/h3-9,14,16H,2,10-13,15H2,1H3.
What are the key properties of [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 432.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 91964872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).