5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 79657588

IUPAC5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)N1CCOC(c2ncc(Br)c(=O)[nH]2)C1
InChIInChI=1S/C11H16BrN3O2/c1-7(2)15-3-4-17-9(6-15)10-13-5-8(12)11(16)14-10/h5,7,9H,3-4,6H2,1-2H3,(H,13,14,16)
InChIKeyWSVPMLMYVRGRME-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.31
Rot. Bonds2

About 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one

5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79657588) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79657588
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)N1CCOC(c2ncc(Br)c(=O)[nH]2)C1
InChIInChI=1S/C11H16BrN3O2/c1-7(2)15-3-4-17-9(6-15)10-13-5-8(12)11(16)14-10/h5,7,9H,3-4,6H2,1-2H3,(H,13,14,16)
InChIKeyWSVPMLMYVRGRME-UHFFFAOYSA-N
XLogP1.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79657588) is 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one is CC(C)N1CCOC(c2ncc(Br)c(=O)[nH]2)C1.
What is the InChIKey of 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is WSVPMLMYVRGRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7(2)15-3-4-17-9(6-15)10-13-5-8(12)11(16)14-10/h5,7,9H,3-4,6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79657588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).