5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine

C8H12BrN5O — CID 83027626

IUPAC5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NN2CCOCC2)n1
InChIInChI=1S/C8H12BrN5O/c9-6-5-11-8(10)12-7(6)13-14-1-3-15-4-2-14/h5H,1-4H2,(H3,10,11,12,13)
InChIKeyPXXQUSMGKFVBTK-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.48
Rot. Bonds2

About 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine

5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 83027626) has the molecular formula C8H12BrN5O and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID83027626
Molecular FormulaC8H12BrN5O
Molecular Weight274.12 g/mol
Exact Mass273.02
IUPAC Name5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NN2CCOCC2)n1
InChIInChI=1S/C8H12BrN5O/c9-6-5-11-8(10)12-7(6)13-14-1-3-15-4-2-14/h5H,1-4H2,(H3,10,11,12,13)
InChIKeyPXXQUSMGKFVBTK-UHFFFAOYSA-N
XLogP0.48
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine (CID 83027626) is 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine is Nc1ncc(Br)c(NN2CCOCC2)n1.
What is the InChIKey of 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is PXXQUSMGKFVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN5O/c9-6-5-11-8(10)12-7(6)13-14-1-3-15-4-2-14/h5H,1-4H2,(H3,10,11,12,13).
What are the key properties of 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine?
5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 274.12 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 83027626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).