5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one

C11H15BrN2O2 — CID 66308586

IUPAC5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC1CCCCO1
InChIInChI=1S/C11H15BrN2O2/c1-8-13-6-10(12)11(15)14(8)7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3
InChIKeyJFZFBOGIMJHPQD-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.88
Rot. Bonds2

About 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one

5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 66308586) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID66308586
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC1CCCCO1
InChIInChI=1S/C11H15BrN2O2/c1-8-13-6-10(12)11(15)14(8)7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3
InChIKeyJFZFBOGIMJHPQD-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (CID 66308586) is 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CC1CCCCO1.
What is the InChIKey of 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is JFZFBOGIMJHPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-13-6-10(12)11(15)14(8)7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 287.16 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66308586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).