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

C14H13BrN6OS — CID 71811831

IUPAC5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
InChIInChI=1S/C14H13BrN6OS/c15-9-7-23-12-10(8-5-17-13(16)18-6-8)19-14(20-11(9)12)21-1-3-22-4-2-21/h5-7H,1-4H2,(H2,16,17,18)
InChIKeyBABDILPCLFBIRB-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.33
Rot. Bonds2

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

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 71811831) has the molecular formula C14H13BrN6OS and a molecular weight of 393.27 g/mol. Its IUPAC name is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine
PubChem CID71811831
Molecular FormulaC14H13BrN6OS
Molecular Weight393.27 g/mol
Exact Mass392.01
IUPAC Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
InChIInChI=1S/C14H13BrN6OS/c15-9-7-23-12-10(8-5-17-13(16)18-6-8)19-14(20-11(9)12)21-1-3-22-4-2-21/h5-7H,1-4H2,(H2,16,17,18)
InChIKeyBABDILPCLFBIRB-UHFFFAOYSA-N
XLogP2.33
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)pyrimidin-2-amine?
The IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine (CID 71811831) is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1.
What is the InChIKey of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is BABDILPCLFBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6OS/c15-9-7-23-12-10(8-5-17-13(16)18-6-8)19-14(20-11(9)12)21-1-3-22-4-2-21/h5-7H,1-4H2,(H2,16,17,18).
What are the key properties of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine?
5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 393.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 8 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)pyrimidin-2-amine is sourced from PubChem (CID 71811831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).