methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate

C8H10BrN3O2 — CID 66342541

IUPACmethyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncncc1Br
InChIInChI=1S/C8H10BrN3O2/c1-5(8(13)14-2)12-7-6(9)3-10-4-11-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyCLMUAXYNANGWBI-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate

methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate (PubChem CID 66342541) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
PubChem CID66342541
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Namemethyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncncc1Br
InChIInChI=1S/C8H10BrN3O2/c1-5(8(13)14-2)12-7-6(9)3-10-4-11-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyCLMUAXYNANGWBI-UHFFFAOYSA-N
XLogP1.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
CID 83843664
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
CID 80897187
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875
5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 66342606
3-N-(5-bromopyrimidin-4-yl)butane-1,3-diamine
CID 83180764
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
5-bromo-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 103578161
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate (CID 66342541) is methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate is COC(=O)C(C)Nc1ncncc1Br.
What is the InChIKey of methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate?
The InChIKey is CLMUAXYNANGWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-5(8(13)14-2)12-7-6(9)3-10-4-11-7/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate?
methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate has a molecular weight of 260.09 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 66342541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).