5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine

C15H15BrN6OS — CID 71811880

IUPAC5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESCc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1Br
InChIInChI=1S/C15H15BrN6OS/c1-8-10(16)12-13(24-8)11(9-6-18-14(17)19-7-9)20-15(21-12)22-2-4-23-5-3-22/h6-7H,2-5H2,1H3,(H2,17,18,19)
InChIKeyBAAGSOJBRAXMDB-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.64
Rot. Bonds2

About 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine

5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 71811880) has the molecular formula C15H15BrN6OS and a molecular weight of 407.30 g/mol. Its IUPAC name is 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine
PubChem CID71811880
Molecular FormulaC15H15BrN6OS
Molecular Weight407.30 g/mol
Exact Mass406.02
IUPAC Name5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESCc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1Br
InChIInChI=1S/C15H15BrN6OS/c1-8-10(16)12-13(24-8)11(9-6-18-14(17)19-7-9)20-15(21-12)22-2-4-23-5-3-22/h6-7H,2-5H2,1H3,(H2,17,18,19)
InChIKeyBAAGSOJBRAXMDB-UHFFFAOYSA-N
XLogP2.64
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine (CID 71811880) is 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine is Cc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1Br.
What is the InChIKey of 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is BAAGSOJBRAXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6OS/c1-8-10(16)12-13(24-8)11(9-6-18-14(17)19-7-9)20-15(21-12)22-2-4-23-5-3-22/h6-7H,2-5H2,1H3,(H2,17,18,19).
What are the key properties of 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine?
5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 407.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 71811880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).