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

C14H12BrN5OS — CID 118346980

IUPAC4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine
SMILESBrc1csc2c(-c3cncnc3)nc(N3CCOCC3)nc12
InChIInChI=1S/C14H12BrN5OS/c15-10-7-22-13-11(9-5-16-8-17-6-9)18-14(19-12(10)13)20-1-3-21-4-2-20/h5-8H,1-4H2
InChIKeyXXKYXNMDCXLUGD-UHFFFAOYSA-N
MW378.26 g/mol
LogP2.75
Rot. Bonds2

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

4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine (PubChem CID 118346980) has the molecular formula C14H12BrN5OS and a molecular weight of 378.26 g/mol. Its IUPAC name is 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine
PubChem CID118346980
Molecular FormulaC14H12BrN5OS
Molecular Weight378.26 g/mol
Exact Mass376.99
IUPAC Name4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine
SMILESBrc1csc2c(-c3cncnc3)nc(N3CCOCC3)nc12
InChIInChI=1S/C14H12BrN5OS/c15-10-7-22-13-11(9-5-16-8-17-6-9)18-14(19-12(10)13)20-1-3-21-4-2-20/h5-8H,1-4H2
InChIKeyXXKYXNMDCXLUGD-UHFFFAOYSA-N
XLogP2.75
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine?
The IUPAC name of 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine (CID 118346980) is 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine is Brc1csc2c(-c3cncnc3)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine?
The InChIKey is XXKYXNMDCXLUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5OS/c15-10-7-22-13-11(9-5-16-8-17-6-9)18-14(19-12(10)13)20-1-3-21-4-2-20/h5-8H,1-4H2.
What are the key properties of 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine?
4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine has a molecular weight of 378.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 118346980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).