6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine

C13H11BrN4S — CID 118734205

IUPAC6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccn1
InChIInChI=1S/C13H11BrN4S/c1-8(10-4-2-3-5-15-10)18-12-9-6-11(14)19-13(9)17-7-16-12/h2-8H,1H3,(H,16,17,18)/t8-/m1/s1
InChIKeyOSZBOEMUSHMTHQ-MRVPVSSYSA-N
MW335.23 g/mol
LogP4.02
Rot. Bonds3

About 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine

6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734205) has the molecular formula C13H11BrN4S and a molecular weight of 335.23 g/mol. Its IUPAC name is 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734205
Molecular FormulaC13H11BrN4S
Molecular Weight335.23 g/mol
Exact Mass333.99
IUPAC Name6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccn1
InChIInChI=1S/C13H11BrN4S/c1-8(10-4-2-3-5-15-10)18-12-9-6-11(14)19-13(9)17-7-16-12/h2-8H,1H3,(H,16,17,18)/t8-/m1/s1
InChIKeyOSZBOEMUSHMTHQ-MRVPVSSYSA-N
XLogP4.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 118734205) is 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccn1.
What is the InChIKey of 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OSZBOEMUSHMTHQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11BrN4S/c1-8(10-4-2-3-5-15-10)18-12-9-6-11(14)19-13(9)17-7-16-12/h2-8H,1H3,(H,16,17,18)/t8-/m1/s1.
What are the key properties of 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).