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

C18H19N3O2S — CID 3151032

IUPAC4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)CC(Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O
InChIInChI=1S/C18H19N3O2S/c1-11(2)8-14(18(22)23)21-16-15-13(12-6-4-3-5-7-12)9-24-17(15)20-10-19-16/h3-7,9-11,14H,8H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyMHSIZMVTWBIUBF-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.27
Rot. Bonds6

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

4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 3151032) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
PubChem CID3151032
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)CC(Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O
InChIInChI=1S/C18H19N3O2S/c1-11(2)8-14(18(22)23)21-16-15-13(12-6-4-3-5-7-12)9-24-17(15)20-10-19-16/h3-7,9-11,14H,8H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyMHSIZMVTWBIUBF-UHFFFAOYSA-N
XLogP4.27
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122062465
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122062590
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
5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 82022196
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95266346
1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21009510
1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60503068
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid (CID 3151032) is 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid is CC(C)CC(Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O.
What is the InChIKey of 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is MHSIZMVTWBIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11(2)8-14(18(22)23)21-16-15-13(12-6-4-3-5-7-12)9-24-17(15)20-10-19-16/h3-7,9-11,14H,8H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid?
4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 341.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 3151032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).