2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine

C12H6Br2ClN3S — CID 103320957

IUPAC2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(Nc2cc(Br)ccc2Br)c2ccsc2n1
InChIInChI=1S/C12H6Br2ClN3S/c13-6-1-2-8(14)9(5-6)16-10-7-3-4-19-11(7)18-12(15)17-10/h1-5H,(H,16,17,18)
InChIKeyYZNRRUQEQZNKQB-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.61
Rot. Bonds2

About 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320957) has the molecular formula C12H6Br2ClN3S and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320957
Molecular FormulaC12H6Br2ClN3S
Molecular Weight419.53 g/mol
Exact Mass416.83
IUPAC Name2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(Nc2cc(Br)ccc2Br)c2ccsc2n1
InChIInChI=1S/C12H6Br2ClN3S/c13-6-1-2-8(14)9(5-6)16-10-7-3-4-19-11(7)18-12(15)17-10/h1-5H,(H,16,17,18)
InChIKeyYZNRRUQEQZNKQB-UHFFFAOYSA-N
XLogP5.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320957) is 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine is Clc1nc(Nc2cc(Br)ccc2Br)c2ccsc2n1.
What is the InChIKey of 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YZNRRUQEQZNKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2ClN3S/c13-6-1-2-8(14)9(5-6)16-10-7-3-4-19-11(7)18-12(15)17-10/h1-5H,(H,16,17,18).
What are the key properties of 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 419.53 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).