5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one

C10H15BrN2O3 — CID 106666427

IUPAC5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOC(C)(C)CCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN2O3/c1-10(2,15-3)4-5-16-9-7(11)8(14)12-6-13-9/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWUZREKWOMJYVFB-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.73
Rot. Bonds5

About 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one

5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one (PubChem CID 106666427) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
PubChem CID106666427
Molecular FormulaC10H15BrN2O3
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOC(C)(C)CCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN2O3/c1-10(2,15-3)4-5-16-9-7(11)8(14)12-6-13-9/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWUZREKWOMJYVFB-UHFFFAOYSA-N
XLogP1.73
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983141
5-bromo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179368
5-bromo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284594
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404127
5-bromo-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489525
5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203664
5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448544
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
5-iodo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666431
4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106669388
4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586457
4-(2-amino-2-methylbutoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one (CID 106666427) is 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one is COC(C)(C)CCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is WUZREKWOMJYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-10(2,15-3)4-5-16-9-7(11)8(14)12-6-13-9/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 291.14 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106666427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).