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

C15H13N3O2S — CID 4076019

IUPAC2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O
InChIInChI=1S/C15H13N3O2S/c1-9(15(19)20)18-13-12-11(10-5-3-2-4-6-10)7-21-14(12)17-8-16-13/h2-9H,1H3,(H,19,20)(H,16,17,18)
InChIKeyJILRVONTUYODMN-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.24
Rot. Bonds4

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

2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 4076019) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID4076019
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O
InChIInChI=1S/C15H13N3O2S/c1-9(15(19)20)18-13-12-11(10-5-3-2-4-6-10)7-21-14(12)17-8-16-13/h2-9H,1H3,(H,19,20)(H,16,17,18)
InChIKeyJILRVONTUYODMN-UHFFFAOYSA-N
XLogP3.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.24
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
3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 82022252
2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanedioic acid
CID 82022263
1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21009510
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95266346
propan-2-yl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012634
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 98291934
5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 82022196
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 4076019) is 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is CC(Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O.
What is the InChIKey of 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is JILRVONTUYODMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(15(19)20)18-13-12-11(10-5-3-2-4-6-10)7-21-14(12)17-8-16-13/h2-9H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 299.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 4076019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).