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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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).