5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine

C15H14BrN5OS — CID 71811832

IUPAC5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
InChIInChI=1S/C15H14BrN5OS/c16-10-8-23-14-12(9-1-2-11(17)18-7-9)19-15(20-13(10)14)21-3-5-22-6-4-21/h1-2,7-8H,3-6H2,(H2,17,18)
InChIKeyKFQCYCVDJMGICQ-UHFFFAOYSA-N
MW392.28 g/mol
LogP2.93
Rot. Bonds2

About 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine (PubChem CID 71811832) has the molecular formula C15H14BrN5OS and a molecular weight of 392.28 g/mol. Its IUPAC name is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine
PubChem CID71811832
Molecular FormulaC15H14BrN5OS
Molecular Weight392.28 g/mol
Exact Mass391.01
IUPAC Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
InChIInChI=1S/C15H14BrN5OS/c16-10-8-23-14-12(9-1-2-11(17)18-7-9)19-15(20-13(10)14)21-3-5-22-6-4-21/h1-2,7-8H,3-6H2,(H2,17,18)
InChIKeyKFQCYCVDJMGICQ-UHFFFAOYSA-N
XLogP2.93
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine?
The IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine (CID 71811832) is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine is Nc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1.
What is the InChIKey of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine?
The InChIKey is KFQCYCVDJMGICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5OS/c16-10-8-23-14-12(9-1-2-11(17)18-7-9)19-15(20-13(10)14)21-3-5-22-6-4-21/h1-2,7-8H,3-6H2,(H2,17,18).
What are the key properties of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine?
5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine has a molecular weight of 392.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 71811832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).