3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide

C18H21N3O2S2 — CID 51332816

IUPAC3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1sc2ncn(CCC(=O)N(C)C(C)c3cccs3)c(=O)c2c1C
InChIInChI=1S/C18H21N3O2S2/c1-11-13(3)25-17-16(11)18(23)21(10-19-17)8-7-15(22)20(4)12(2)14-6-5-9-24-14/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyXLIKWOIVFFDAEW-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.75
Rot. Bonds5

About 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide

3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 51332816) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID51332816
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1sc2ncn(CCC(=O)N(C)C(C)c3cccs3)c(=O)c2c1C
InChIInChI=1S/C18H21N3O2S2/c1-11-13(3)25-17-16(11)18(23)21(10-19-17)8-7-15(22)20(4)12(2)14-6-5-9-24-14/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyXLIKWOIVFFDAEW-UHFFFAOYSA-N
XLogP3.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 46513646
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanehydrazide
CID 60713001
N-[[4-(dimethylamino)phenyl]methyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 18148852
[2-(2,2,2-trifluoroethoxy)phenyl] 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 86884808
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 18148555
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide
CID 55512539
N-[1-(4-chlorophenyl)ethyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16618937
N-cyclopropyl-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 18164977
5,6-dimethyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 18148112

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide (CID 51332816) is 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide is Cc1sc2ncn(CCC(=O)N(C)C(C)c3cccs3)c(=O)c2c1C.
What is the InChIKey of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is XLIKWOIVFFDAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-11-13(3)25-17-16(11)18(23)21(10-19-17)8-7-15(22)20(4)12(2)14-6-5-9-24-14/h5-6,9-10,12H,7-8H2,1-4H3.
What are the key properties of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 375.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 51332816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).