2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C13H9BrFN3S — CID 114907043

IUPAC2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Br)cc2F)nc2sccc12
InChIInChI=1S/C13H9BrFN3S/c1-16-11-9-4-5-19-13(9)18-12(17-11)8-3-2-7(14)6-10(8)15/h2-6H,1H3,(H,16,17,18)
InChIKeyGJAPYGOOCDYNPE-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.30
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 114907043) has the molecular formula C13H9BrFN3S and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID114907043
Molecular FormulaC13H9BrFN3S
Molecular Weight338.21 g/mol
Exact Mass336.97
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Br)cc2F)nc2sccc12
InChIInChI=1S/C13H9BrFN3S/c1-16-11-9-4-5-19-13(9)18-12(17-11)8-3-2-7(14)6-10(8)15/h2-6H,1H3,(H,16,17,18)
InChIKeyGJAPYGOOCDYNPE-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82800329
2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114887684
2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193620
2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188533
2-(2-methoxy-4-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 106792983
2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907051
2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617006
2-(3,5-dimethoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103399652
2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63487110
N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107935507
2-(3,4-dimethoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187794
[2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 55153376

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 114907043) is 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2ccc(Br)cc2F)nc2sccc12.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GJAPYGOOCDYNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3S/c1-16-11-9-4-5-19-13(9)18-12(17-11)8-3-2-7(14)6-10(8)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.21 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114907043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).