5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid

C17H15FN4O3S — CID 82022196

IUPAC5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(Nc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)O
InChIInChI=1S/C17H15FN4O3S/c18-10-3-1-9(2-4-10)11-7-26-16-14(11)15(20-8-21-16)22-12(17(24)25)5-6-13(19)23/h1-4,7-8,12H,5-6H2,(H2,19,23)(H,24,25)(H,20,21,22)
InChIKeyXFMXJANFSURNAG-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.63
Rot. Bonds7

About 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid

5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid (PubChem CID 82022196) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
PubChem CID82022196
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(Nc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)O
InChIInChI=1S/C17H15FN4O3S/c18-10-3-1-9(2-4-10)11-7-26-16-14(11)15(20-8-21-16)22-12(17(24)25)5-6-13(19)23/h1-4,7-8,12H,5-6H2,(H2,19,23)(H,24,25)(H,20,21,22)
InChIKeyXFMXJANFSURNAG-UHFFFAOYSA-N
XLogP2.63
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
CID 3151032
2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanedioic acid
CID 82022263
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 82022252
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469
N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
methyl 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 9195748
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide
CID 27354310
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
(1S)-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(4-nitrophenyl)ethanol
CID 9280965

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid (CID 82022196) is 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid is NC(=O)CCC(Nc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)O.
What is the InChIKey of 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid?
The InChIKey is XFMXJANFSURNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c18-10-3-1-9(2-4-10)11-7-26-16-14(11)15(20-8-21-16)22-12(17(24)25)5-6-13(19)23/h1-4,7-8,12H,5-6H2,(H2,19,23)(H,24,25)(H,20,21,22).
What are the key properties of 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid?
5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid has a molecular weight of 374.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 82022196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).