4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid

C13H17N3O2S — CID 122062465

IUPAC4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
SMILESCc1csc2ncnc(NC(CC(C)C)C(=O)O)c12
InChIInChI=1S/C13H17N3O2S/c1-7(2)4-9(13(17)18)16-11-10-8(3)5-19-12(10)15-6-14-11/h5-7,9H,4H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyJXXNUEVZOZDNLP-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.91
Rot. Bonds5

About 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid

4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 122062465) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
PubChem CID122062465
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
SMILESCc1csc2ncnc(NC(CC(C)C)C(=O)O)c12
InChIInChI=1S/C13H17N3O2S/c1-7(2)4-9(13(17)18)16-11-10-8(3)5-19-12(10)15-6-14-11/h5-7,9H,4H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyJXXNUEVZOZDNLP-UHFFFAOYSA-N
XLogP2.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
CID 3151032
ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 68603545
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 140546721
4-methyl-2-[(8-oxo-7,9-dihydropurin-6-yl)amino]pentanoic acid
CID 22063219
(2R)-4-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122049116
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanedioic acid
CID 82022263
N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 68604925
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 102686030
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid (CID 122062465) is 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid is Cc1csc2ncnc(NC(CC(C)C)C(=O)O)c12.
What is the InChIKey of 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is JXXNUEVZOZDNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7(2)4-9(13(17)18)16-11-10-8(3)5-19-12(10)15-6-14-11/h5-7,9H,4H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 279.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 122062465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).