3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

C11H13N3O2S — CID 724915

IUPAC3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1sc2ncnc(NCCC(=O)O)c2c1C
InChIInChI=1S/C11H13N3O2S/c1-6-7(2)17-11-9(6)10(13-5-14-11)12-4-3-8(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyORTGYBZWTNZDIS-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.19
Rot. Bonds4

About 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 724915) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID724915
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1sc2ncnc(NCCC(=O)O)c2c1C
InChIInChI=1S/C11H13N3O2S/c1-6-7(2)17-11-9(6)10(13-5-14-11)12-4-3-8(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyORTGYBZWTNZDIS-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
methyl 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 60631358
3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28842493
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
N-(2-aminoethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39162325
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
CID 82033138
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 31666225
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 724915) is 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is Cc1sc2ncnc(NCCC(=O)O)c2c1C.
What is the InChIKey of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is ORTGYBZWTNZDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6-7(2)17-11-9(6)10(13-5-14-11)12-4-3-8(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 251.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 724915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).