2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid

C14H17N3O4S — CID 39164641

IUPAC2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCc1sc2ncn(CC(=O)NC(C)(C)C(=O)O)c(=O)c2c1C
InChIInChI=1S/C14H17N3O4S/c1-7-8(2)22-11-10(7)12(19)17(6-15-11)5-9(18)16-14(3,4)13(20)21/h6H,5H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyHPMWGEDXPZLFSI-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.05
Rot. Bonds4

About 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid

2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 39164641) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID39164641
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCc1sc2ncn(CC(=O)NC(C)(C)C(=O)O)c(=O)c2c1C
InChIInChI=1S/C14H17N3O4S/c1-7-8(2)22-11-10(7)12(19)17(6-15-11)5-9(18)16-14(3,4)13(20)21/h6H,5H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyHPMWGEDXPZLFSI-UHFFFAOYSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164915
N-(2-aminoethyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39161648
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
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
N-[(E)-benzylideneamino]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6871033
(3,3-dimethyl-2-oxobutyl) 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7939646
ethyl 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1191759
methyl 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate
CID 3358713
N-butan-2-yl-2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CID 3436413
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 7629831
4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N,N-diethylbenzamide
CID 26899634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 39164641) is 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid is Cc1sc2ncn(CC(=O)NC(C)(C)C(=O)O)c(=O)c2c1C.
What is the InChIKey of 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is HPMWGEDXPZLFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-7-8(2)22-11-10(7)12(19)17(6-15-11)5-9(18)16-14(3,4)13(20)21/h6H,5H2,1-4H3,(H,16,18)(H,20,21).
What are the key properties of 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 323.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 39164641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).