4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one

C8H11BrN4O2 — CID 135629493

IUPAC4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c9-5-6(10)11-8(12-7(5)14)13-1-3-15-4-2-13/h1-4H2,(H3,10,11,12,14)
InChIKeyPHXUMMWOVHMZPK-UHFFFAOYSA-N
MW275.11 g/mol
LogP-0.05
Rot. Bonds1

About 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one

4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135629493) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135629493
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c9-5-6(10)11-8(12-7(5)14)13-1-3-15-4-2-13/h1-4H2,(H3,10,11,12,14)
InChIKeyPHXUMMWOVHMZPK-UHFFFAOYSA-N
XLogP-0.05
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135629493) is 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one is Nc1nc(N2CCOCC2)[nH]c(=O)c1Br.
What is the InChIKey of 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is PHXUMMWOVHMZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c9-5-6(10)11-8(12-7(5)14)13-1-3-15-4-2-13/h1-4H2,(H3,10,11,12,14).
What are the key properties of 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 275.11 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135629493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).