4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine

C14H11BrFN3OS — CID 103333352

IUPAC4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccc(F)c(Br)c2)c2ccsc2n1
InChIInChI=1S/C14H11BrFN3OS/c1-2-17-14-18-12(9-5-6-21-13(9)19-14)20-8-3-4-11(16)10(15)7-8/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyPBBNOYLAUTWSNV-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.82
Rot. Bonds4

About 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine

4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333352) has the molecular formula C14H11BrFN3OS and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103333352
Molecular FormulaC14H11BrFN3OS
Molecular Weight368.23 g/mol
Exact Mass366.98
IUPAC Name4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccc(F)c(Br)c2)c2ccsc2n1
InChIInChI=1S/C14H11BrFN3OS/c1-2-17-14-18-12(9-5-6-21-13(9)19-14)20-8-3-4-11(16)10(15)7-8/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyPBBNOYLAUTWSNV-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333526
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333102
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103333352) is 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2ccc(F)c(Br)c2)c2ccsc2n1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PBBNOYLAUTWSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3OS/c1-2-17-14-18-12(9-5-6-21-13(9)19-14)20-8-3-4-11(16)10(15)7-8/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 368.23 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).