5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid

C8H10BrN3O3 — CID 83845233

IUPAC5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid
SMILESCN(CCO)c1ncnc(C(=O)O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-12(2-3-13)7-5(9)6(8(14)15)10-4-11-7/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyDKHUWMGYKVSTMM-UHFFFAOYSA-N
MW276.09 g/mol
LogP0.37
Rot. Bonds4

About 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid

5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 83845233) has the molecular formula C8H10BrN3O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid
PubChem CID83845233
Molecular FormulaC8H10BrN3O3
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Name5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid
SMILESCN(CCO)c1ncnc(C(=O)O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-12(2-3-13)7-5(9)6(8(14)15)10-4-11-7/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyDKHUWMGYKVSTMM-UHFFFAOYSA-N
XLogP0.37
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 51045406
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol
CID 102402729
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 82068963
2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 28847320
3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
CID 11646466
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28847295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid (CID 83845233) is 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid is CN(CCO)c1ncnc(C(=O)O)c1Br.
What is the InChIKey of 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is DKHUWMGYKVSTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3/c1-12(2-3-13)7-5(9)6(8(14)15)10-4-11-7/h4,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid?
5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 276.09 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83845233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).