methyl 5-(5-bromopyrimidin-2-yl)pentanoate

C10H13BrN2O2 — CID 166977340

IUPACmethyl 5-(5-bromopyrimidin-2-yl)pentanoate
SMILESCOC(=O)CCCCc1ncc(Br)cn1
InChIInChI=1S/C10H13BrN2O2/c1-15-10(14)5-3-2-4-9-12-6-8(11)7-13-9/h6-7H,2-5H2,1H3
InChIKeyBIJCZWGHECKAST-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.12
Rot. Bonds5

About methyl 5-(5-bromopyrimidin-2-yl)pentanoate

methyl 5-(5-bromopyrimidin-2-yl)pentanoate (PubChem CID 166977340) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 5-(5-bromopyrimidin-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(5-bromopyrimidin-2-yl)pentanoate
PubChem CID166977340
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Namemethyl 5-(5-bromopyrimidin-2-yl)pentanoate
SMILESCOC(=O)CCCCc1ncc(Br)cn1
InChIInChI=1S/C10H13BrN2O2/c1-15-10(14)5-3-2-4-9-12-6-8(11)7-13-9/h6-7H,2-5H2,1H3
InChIKeyBIJCZWGHECKAST-UHFFFAOYSA-N
XLogP2.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[5-(aminomethyl)pyrimidin-2-yl]pentanoate
CID 71743527
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
dimethyl 9-oxooctadecanedioate
CID 544455
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733
methyl 2-[(5-bromo-2-pyridinyl)oxy]acetate
CID 67448774
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-bromopyrimidin-2-yl)pentanoate?
The IUPAC name of methyl 5-(5-bromopyrimidin-2-yl)pentanoate (CID 166977340) is methyl 5-(5-bromopyrimidin-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(5-bromopyrimidin-2-yl)pentanoate?
The canonical SMILES for methyl 5-(5-bromopyrimidin-2-yl)pentanoate is COC(=O)CCCCc1ncc(Br)cn1.
What is the InChIKey of methyl 5-(5-bromopyrimidin-2-yl)pentanoate?
The InChIKey is BIJCZWGHECKAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-15-10(14)5-3-2-4-9-12-6-8(11)7-13-9/h6-7H,2-5H2,1H3.
What are the key properties of methyl 5-(5-bromopyrimidin-2-yl)pentanoate?
methyl 5-(5-bromopyrimidin-2-yl)pentanoate has a molecular weight of 273.13 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-bromopyrimidin-2-yl)pentanoate is sourced from PubChem (CID 166977340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).