5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

C10H15BrN2O3 — CID 106448544

IUPAC5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN2O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeySESWQWPFWNHJGE-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.58
Rot. Bonds6

About 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 106448544) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID106448544
Molecular FormulaC10H15BrN2O3
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN2O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeySESWQWPFWNHJGE-UHFFFAOYSA-N
XLogP1.58
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-iodo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448547
5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666427
4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586457
5-bromo-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 114675864
5-bromo-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 114675891
5-bromo-4-ethoxy-1H-pyrimidin-6-one
CID 114675915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (CID 106448544) is 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is CC(C)COCCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is SESWQWPFWNHJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 291.14 g/mol, XLogP of 1.58, 6 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-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 106448544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).