1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone

C25H27N5O2S — CID 11950157

IUPAC1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
SMILESCCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NCc3ccco3)nc2s1
InChIInChI=1S/C25H27N5O2S/c1-2-20-16-21-23(27-25(28-24(21)33-20)26-17-19-9-6-14-32-19)30-12-10-29(11-13-30)22(31)15-18-7-4-3-5-8-18/h3-9,14,16H,2,10-13,15,17H2,1H3,(H,26,27,28)
InChIKeySGTFVHOCTHBCAQ-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.35
Rot. Bonds7

About 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone

1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone (PubChem CID 11950157) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
PubChem CID11950157
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
SMILESCCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NCc3ccco3)nc2s1
InChIInChI=1S/C25H27N5O2S/c1-2-20-16-21-23(27-25(28-24(21)33-20)26-17-19-9-6-14-32-19)30-12-10-29(11-13-30)22(31)15-18-7-4-3-5-8-18/h3-9,14,16H,2,10-13,15,17H2,1H3,(H,26,27,28)
InChIKeySGTFVHOCTHBCAQ-UHFFFAOYSA-N
XLogP4.35
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[6-ethyl-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 11950156
2-[6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 59763718
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
2-[6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 91562672
1-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 39073278
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 21062631
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide
CID 91124246
[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 87802888
benzyl-[3-[[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]amino]-3-oxopropyl]carbamic acid
CID 69242807
2-[3-(N,2-diaminoanilino)phenyl]-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 142220435
2-(3-ethylphenyl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121338675

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone (CID 11950157) is 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone is CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NCc3ccco3)nc2s1.
What is the InChIKey of 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is SGTFVHOCTHBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-2-20-16-21-23(27-25(28-24(21)33-20)26-17-19-9-6-14-32-19)30-12-10-29(11-13-30)22(31)15-18-7-4-3-5-8-18/h3-9,14,16H,2,10-13,15,17H2,1H3,(H,26,27,28).
What are the key properties of 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone?
1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 461.59 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 11950157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).