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

C20H14FN3O2S — CID 21009469

IUPAC2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C20H14FN3O2S/c21-14-5-3-13(4-6-14)16-10-27-20-18(16)19(22-11-23-20)24-15-7-1-12(2-8-15)9-17(25)26/h1-8,10-11H,9H2,(H,25,26)(H,22,23,24)
InChIKeyRRBUZVFWEVXKPA-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.87
Rot. Bonds5

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

2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid (PubChem CID 21009469) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
PubChem CID21009469
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C20H14FN3O2S/c21-14-5-3-13(4-6-14)16-10-27-20-18(16)19(22-11-23-20)24-15-7-1-12(2-8-15)9-17(25)26/h1-8,10-11H,9H2,(H,25,26)(H,22,23,24)
InChIKeyRRBUZVFWEVXKPA-UHFFFAOYSA-N
XLogP4.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]arsonic acid
CID 112501307
dimethyl 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 21009153
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774
methyl N-[4-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]carbamate
CID 60504750
5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 9332987
methyl 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 20997970
1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21009510
5-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011948
N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]arsonic acid
CID 112501316
N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010573
5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 82022196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid (CID 21009469) is 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc1.
What is the InChIKey of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid?
The InChIKey is RRBUZVFWEVXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-14-5-3-13(4-6-14)16-10-27-20-18(16)19(22-11-23-20)24-15-7-1-12(2-8-15)9-17(25)26/h1-8,10-11H,9H2,(H,25,26)(H,22,23,24).
What are the key properties of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid?
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid has a molecular weight of 379.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 21009469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).