6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine

C17H11BrFN5O2 — CID 155310225

IUPAC6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine
SMILESCc1ccnc(Oc2ccc(-c3c(Br)oc4ncnc(N)c34)cc2F)n1
InChIInChI=1S/C17H11BrFN5O2/c1-8-4-5-21-17(24-8)25-11-3-2-9(6-10(11)19)12-13-15(20)22-7-23-16(13)26-14(12)18/h2-7H,1H3,(H2,20,22,23)
InChIKeyBOFWQOZHTHRIOM-UHFFFAOYSA-N
MW416.21 g/mol
LogP4.26
Rot. Bonds3

About 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine

6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine (PubChem CID 155310225) has the molecular formula C17H11BrFN5O2 and a molecular weight of 416.21 g/mol. Its IUPAC name is 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine
PubChem CID155310225
Molecular FormulaC17H11BrFN5O2
Molecular Weight416.21 g/mol
Exact Mass415.01
IUPAC Name6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine
SMILESCc1ccnc(Oc2ccc(-c3c(Br)oc4ncnc(N)c34)cc2F)n1
InChIInChI=1S/C17H11BrFN5O2/c1-8-4-5-21-17(24-8)25-11-3-2-9(6-10(11)19)12-13-15(20)22-7-23-16(13)26-14(12)18/h2-7H,1H3,(H2,20,22,23)
InChIKeyBOFWQOZHTHRIOM-UHFFFAOYSA-N
XLogP4.26
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine (CID 155310225) is 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine is Cc1ccnc(Oc2ccc(-c3c(Br)oc4ncnc(N)c34)cc2F)n1.
What is the InChIKey of 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine?
The InChIKey is BOFWQOZHTHRIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5O2/c1-8-4-5-21-17(24-8)25-11-3-2-9(6-10(11)19)12-13-15(20)22-7-23-16(13)26-14(12)18/h2-7H,1H3,(H2,20,22,23).
What are the key properties of 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine?
6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine has a molecular weight of 416.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155310225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).