2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine

C12H14BrN3O — CID 62202951

IUPAC2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(Br)o2)n1
InChIInChI=1S/C12H14BrN3O/c1-3-8-7-11(14-4-2)16-12(15-8)9-5-6-10(13)17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyUBHYDSKGNHAIHE-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.49
Rot. Bonds4

About 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine

2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine (PubChem CID 62202951) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
PubChem CID62202951
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(Br)o2)n1
InChIInChI=1S/C12H14BrN3O/c1-3-8-7-11(14-4-2)16-12(15-8)9-5-6-10(13)17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyUBHYDSKGNHAIHE-UHFFFAOYSA-N
XLogP3.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine (CID 62202951) is 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(-c2ccc(Br)o2)n1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is UBHYDSKGNHAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-3-8-7-11(14-4-2)16-12(15-8)9-5-6-10(13)17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine?
2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 296.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 62202951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).