3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline

C12H8FN3OS — CID 104832082

IUPAC3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline
SMILESNc1cccc(F)c1Oc1ncnc2sccc12
InChIInChI=1S/C12H8FN3OS/c13-8-2-1-3-9(14)10(8)17-11-7-4-5-18-12(7)16-6-15-11/h1-6H,14H2
InChIKeyXBFGKQKUPPVPRD-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.20
Rot. Bonds2

About 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline

3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline (PubChem CID 104832082) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline.

Molecular Properties

Compound Name3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline
PubChem CID104832082
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline
SMILESNc1cccc(F)c1Oc1ncnc2sccc12
InChIInChI=1S/C12H8FN3OS/c13-8-2-1-3-9(14)10(8)17-11-7-4-5-18-12(7)16-6-15-11/h1-6H,14H2
InChIKeyXBFGKQKUPPVPRD-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 63181014
4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 8895911
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
3-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
CID 113458300
3-fluoro-2-pyrimidin-2-yloxyaniline
CID 104832174
2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 65217084
4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine
CID 51112668
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
3-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395660
2-thieno[2,3-d]pyrimidin-4-yloxybenzaldehyde
CID 4841673
3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol
CID 60871060

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The IUPAC name of 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline (CID 104832082) is 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline.
What is the SMILES notation for 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The canonical SMILES for 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline is Nc1cccc(F)c1Oc1ncnc2sccc12.
What is the InChIKey of 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The InChIKey is XBFGKQKUPPVPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c13-8-2-1-3-9(14)10(8)17-11-7-4-5-18-12(7)16-6-15-11/h1-6H,14H2.
What are the key properties of 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline?
3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline has a molecular weight of 261.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline is sourced from PubChem (CID 104832082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).