5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

C10H15BrN2O2 — CID 103036343

IUPAC5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cncc(Br)c1=O
InChIInChI=1S/C10H15BrN2O2/c1-10(2,15-3)4-5-13-7-12-6-8(11)9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyQRJFPJVBVKXGQZ-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.82
Rot. Bonds4

About 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036343) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036343
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cncc(Br)c1=O
InChIInChI=1S/C10H15BrN2O2/c1-10(2,15-3)4-5-13-7-12-6-8(11)9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyQRJFPJVBVKXGQZ-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036343) is 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is QRJFPJVBVKXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2,15-3)4-5-13-7-12-6-8(11)9(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 275.15 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103036343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).