5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 136957636

IUPAC5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CC(C)(C)O1
InChIInChI=1S/C11H16BrN3O2/c1-7-4-15(5-11(2,3)17-7)9-8(12)10(16)14-6-13-9/h6-7H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyQIQDFMLZQLBDMZ-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.54
Rot. Bonds1

About 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one

5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136957636) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136957636
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CC(C)(C)O1
InChIInChI=1S/C11H16BrN3O2/c1-7-4-15(5-11(2,3)17-7)9-8(12)10(16)14-6-13-9/h6-7H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyQIQDFMLZQLBDMZ-UHFFFAOYSA-N
XLogP1.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136957636) is 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2Br)CC(C)(C)O1.
What is the InChIKey of 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is QIQDFMLZQLBDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7-4-15(5-11(2,3)17-7)9-8(12)10(16)14-6-13-9/h6-7H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).