4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol

C13H14BrN3O2 — CID 135962118

IUPAC4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol
SMILESCCc1cc(N)nc(-c2cc(Br)c(O)c(OC)c2)n1
InChIInChI=1S/C13H14BrN3O2/c1-3-8-6-11(15)17-13(16-8)7-4-9(14)12(18)10(5-7)19-2/h4-6,18H,3H2,1-2H3,(H2,15,16,17)
InChIKeyTVUKWSGDMAVRSD-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol

4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol (PubChem CID 135962118) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol
PubChem CID135962118
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol
SMILESCCc1cc(N)nc(-c2cc(Br)c(O)c(OC)c2)n1
InChIInChI=1S/C13H14BrN3O2/c1-3-8-6-11(15)17-13(16-8)7-4-9(14)12(18)10(5-7)19-2/h4-6,18H,3H2,1-2H3,(H2,15,16,17)
InChIKeyTVUKWSGDMAVRSD-UHFFFAOYSA-N
XLogP2.76
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938348
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol
CID 135978623
6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 62190498
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
2-(3-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 82800331
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 62319679
2-(6-methoxy-3-pyridinyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 114938425
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
methyl 3-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 136871140

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol?
The IUPAC name of 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol (CID 135962118) is 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol is CCc1cc(N)nc(-c2cc(Br)c(O)c(OC)c2)n1.
What is the InChIKey of 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol?
The InChIKey is TVUKWSGDMAVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-3-8-6-11(15)17-13(16-8)7-4-9(14)12(18)10(5-7)19-2/h4-6,18H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol?
4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol has a molecular weight of 324.18 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol is sourced from PubChem (CID 135962118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).