4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine

C12H7ClFN3OS — CID 103333492

IUPAC4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2cccc(Cl)c2F)c2ccsc2n1
InChIInChI=1S/C12H7ClFN3OS/c13-7-2-1-3-8(9(7)14)18-10-6-4-5-19-11(6)17-12(15)16-10/h1-5H,(H2,15,16,17)
InChIKeyDLKXLYYZFRNAIT-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.86
Rot. Bonds2

About 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine

4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333492) has the molecular formula C12H7ClFN3OS and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333492
Molecular FormulaC12H7ClFN3OS
Molecular Weight295.73 g/mol
Exact Mass295.00
IUPAC Name4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2cccc(Cl)c2F)c2ccsc2n1
InChIInChI=1S/C12H7ClFN3OS/c13-7-2-1-3-8(9(7)14)18-10-6-4-5-19-11(6)17-12(15)16-10/h1-5H,(H2,15,16,17)
InChIKeyDLKXLYYZFRNAIT-UHFFFAOYSA-N
XLogP3.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333095
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333669
4-(3-chloro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332407
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332258
4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332428

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103333492) is 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine is Nc1nc(Oc2cccc(Cl)c2F)c2ccsc2n1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is DLKXLYYZFRNAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3OS/c13-7-2-1-3-8(9(7)14)18-10-6-4-5-19-11(6)17-12(15)16-10/h1-5H,(H2,15,16,17).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 295.73 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).