3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

C17H18N4O2S — CID 78859797

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCn2cnc3sccc3c2=O)c(C)n1
InChIInChI=1S/C17H18N4O2S/c1-10-8-11(2)19-12(3)15(10)20-14(22)4-6-21-9-18-16-13(17(21)23)5-7-24-16/h5,7-9H,4,6H2,1-3H3,(H,20,22)
InChIKeyVDXIMOQZIXYLDH-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds4

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (PubChem CID 78859797) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
PubChem CID78859797
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCn2cnc3sccc3c2=O)c(C)n1
InChIInChI=1S/C17H18N4O2S/c1-10-8-11(2)19-12(3)15(10)20-14(22)4-6-21-9-18-16-13(17(21)23)5-7-24-16/h5,7-9H,4,6H2,1-3H3,(H,20,22)
InChIKeyVDXIMOQZIXYLDH-UHFFFAOYSA-N
XLogP2.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 51310536
N-(3-methoxy-1-methylpyrazol-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 154781264
3-methyl-N-[4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide
CID 33030651
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 29493828
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24597108
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 55976071
N-(2-methyl-3-nitrophenyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25472537
N-[2-(azepan-1-yl)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 38283315
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 43038588
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24594960
(2S)-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 120614267

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (CID 78859797) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is Cc1cc(C)c(NC(=O)CCn2cnc3sccc3c2=O)c(C)n1.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The InChIKey is VDXIMOQZIXYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-8-11(2)19-12(3)15(10)20-14(22)4-6-21-9-18-16-13(17(21)23)5-7-24-16/h5,7-9H,4,6H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is sourced from PubChem (CID 78859797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).