2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol

C14H16BrN3O2 — CID 107710279

IUPAC2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
SMILESCCNc1ncc(Br)c(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C14H16BrN3O2/c1-2-16-14-17-9-12(15)13(18-14)20-11-5-3-10(4-6-11)7-8-19/h3-6,9,19H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyRLJWHPQVNJSGSI-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.00
Rot. Bonds6

About 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol

2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol (PubChem CID 107710279) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
PubChem CID107710279
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
SMILESCCNc1ncc(Br)c(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C14H16BrN3O2/c1-2-16-14-17-9-12(15)13(18-14)20-11-5-3-10(4-6-11)7-8-19/h3-6,9,19H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyRLJWHPQVNJSGSI-UHFFFAOYSA-N
XLogP3.00
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80881436
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874712
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80864968
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol?
The IUPAC name of 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol (CID 107710279) is 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol?
The canonical SMILES for 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol is CCNc1ncc(Br)c(Oc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol?
The InChIKey is RLJWHPQVNJSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-16-14-17-9-12(15)13(18-14)20-11-5-3-10(4-6-11)7-8-19/h3-6,9,19H,2,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol?
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol has a molecular weight of 338.21 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol is sourced from PubChem (CID 107710279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).