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

C12H15N3O2S — CID 50947008

IUPAC2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1nc(NC(C)C(=O)O)c2cc(C)sc2n1
InChIInChI=1S/C12H15N3O2S/c1-4-9-14-10(13-7(3)12(16)17)8-5-6(2)18-11(8)15-9/h5,7H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyAATBZMKBAUYSRW-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.45
Rot. Bonds4

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

2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 50947008) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID50947008
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1nc(NC(C)C(=O)O)c2cc(C)sc2n1
InChIInChI=1S/C12H15N3O2S/c1-4-9-14-10(13-7(3)12(16)17)8-5-6(2)18-11(8)15-9/h5,7H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyAATBZMKBAUYSRW-UHFFFAOYSA-N
XLogP2.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 56699224
(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 30254006
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
CID 103321007
N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 137431964
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 91965573
3-methyl-2-[(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91965550
2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine
CID 166120028
(2S)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050114
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 82066307
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 50947008) is 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is CCc1nc(NC(C)C(=O)O)c2cc(C)sc2n1.
What is the InChIKey of 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is AATBZMKBAUYSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-9-14-10(13-7(3)12(16)17)8-5-6(2)18-11(8)15-9/h5,7H,4H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 265.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 50947008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).