N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C23H24N6O3S2 — CID 2527292

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1cc2c(SCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)ncnc2s1
InChIInChI=1S/C23H24N6O3S2/c1-3-15-10-16-21(25-13-26-22(16)34-15)33-12-17(30)28(4-2)18-19(24)29(23(32)27-20(18)31)11-14-8-6-5-7-9-14/h5-10,13H,3-4,11-12,24H2,1-2H3,(H,27,31,32)
InChIKeyIKLCUSCNODDJJL-UHFFFAOYSA-N
MW496.62 g/mol
LogP2.88
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2527292) has the molecular formula C23H24N6O3S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2527292
Molecular FormulaC23H24N6O3S2
Molecular Weight496.62 g/mol
Exact Mass496.14
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1cc2c(SCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)ncnc2s1
InChIInChI=1S/C23H24N6O3S2/c1-3-15-10-16-21(25-13-26-22(16)34-15)33-12-17(30)28(4-2)18-19(24)29(23(32)27-20(18)31)11-14-8-6-5-7-9-14/h5-10,13H,3-4,11-12,24H2,1-2H3,(H,27,31,32)
InChIKeyIKLCUSCNODDJJL-UHFFFAOYSA-N
XLogP2.88
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2527292) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CCc1cc2c(SCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)ncnc2s1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is IKLCUSCNODDJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S2/c1-3-15-10-16-21(25-13-26-22(16)34-15)33-12-17(30)28(4-2)18-19(24)29(23(32)27-20(18)31)11-14-8-6-5-7-9-14/h5-10,13H,3-4,11-12,24H2,1-2H3,(H,27,31,32).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 496.62 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2527292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).