N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine

C16H13BrFN3O2 — CID 56575420

IUPACN-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccc(Br)o1)c1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H13BrFN3O2/c1-21(10-13-6-7-14(17)22-13)16-19-9-8-15(20-16)23-12-4-2-11(18)3-5-12/h2-9H,10H2,1H3
InChIKeyKJIXFWAFEILNEC-UHFFFAOYSA-N
MW378.20 g/mol
LogP4.40
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine

N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine (PubChem CID 56575420) has the molecular formula C16H13BrFN3O2 and a molecular weight of 378.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
PubChem CID56575420
Molecular FormulaC16H13BrFN3O2
Molecular Weight378.20 g/mol
Exact Mass377.02
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccc(Br)o1)c1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H13BrFN3O2/c1-21(10-13-6-7-14(17)22-13)16-19-9-8-15(20-16)23-12-4-2-11(18)3-5-12/h2-9H,10H2,1H3
InChIKeyKJIXFWAFEILNEC-UHFFFAOYSA-N
XLogP4.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine (CID 56575420) is N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine is CN(Cc1ccc(Br)o1)c1nccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is KJIXFWAFEILNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2/c1-21(10-13-6-7-14(17)22-13)16-19-9-8-15(20-16)23-12-4-2-11(18)3-5-12/h2-9H,10H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 378.20 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 56575420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).