5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one

C10H15BrN2O4 — CID 103404127

IUPAC5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN2O4/c1-15-5-6-16-3-2-4-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyKAEINDRCKYMTLN-UHFFFAOYSA-N
MW307.14 g/mol
LogP0.96
Rot. Bonds8

About 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one

5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one (PubChem CID 103404127) has the molecular formula C10H15BrN2O4 and a molecular weight of 307.14 g/mol. Its IUPAC name is 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
PubChem CID103404127
Molecular FormulaC10H15BrN2O4
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC Name5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN2O4/c1-15-5-6-16-3-2-4-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyKAEINDRCKYMTLN-UHFFFAOYSA-N
XLogP0.96
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179376
5-iodo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404135
5-bromo-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489525
5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448544
5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666427
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
5-bromo-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 114676070
5-bromo-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 114676087

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one (CID 103404127) is 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one is COCCOCCCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
The InChIKey is KAEINDRCKYMTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4/c1-15-5-6-16-3-2-4-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one has a molecular weight of 307.14 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103404127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).