3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol

C12H12BrN3O — CID 66296362

IUPAC3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
SMILESCCc1nc(-c2cccc(O)c2)nc(N)c1Br
InChIInChI=1S/C12H12BrN3O/c1-2-9-10(13)11(14)16-12(15-9)7-4-3-5-8(17)6-7/h3-6,17H,2H2,1H3,(H2,14,15,16)
InChIKeyWPECROKFWXIFJQ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol

3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol (PubChem CID 66296362) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
PubChem CID66296362
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
SMILESCCc1nc(-c2cccc(O)c2)nc(N)c1Br
InChIInChI=1S/C12H12BrN3O/c1-2-9-10(13)11(14)16-12(15-9)7-4-3-5-8(17)6-7/h3-6,17H,2H2,1H3,(H2,14,15,16)
InChIKeyWPECROKFWXIFJQ-UHFFFAOYSA-N
XLogP2.76
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol (CID 66296362) is 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol is CCc1nc(-c2cccc(O)c2)nc(N)c1Br.
What is the InChIKey of 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol?
The InChIKey is WPECROKFWXIFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-2-9-10(13)11(14)16-12(15-9)7-4-3-5-8(17)6-7/h3-6,17H,2H2,1H3,(H2,14,15,16).
What are the key properties of 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol?
3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol has a molecular weight of 294.15 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol is sourced from PubChem (CID 66296362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).