N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine

C15H19BrN4O — CID 104652579

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCC(NC1CCCN(c2ncccn2)C1)c1ccc(Br)o1
InChIInChI=1S/C15H19BrN4O/c1-11(13-5-6-14(16)21-13)19-12-4-2-9-20(10-12)15-17-7-3-8-18-15/h3,5-8,11-12,19H,2,4,9-10H2,1H3
InChIKeyZXGXTHOCONJWBJ-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine

N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 104652579) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID104652579
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCC(NC1CCCN(c2ncccn2)C1)c1ccc(Br)o1
InChIInChI=1S/C15H19BrN4O/c1-11(13-5-6-14(16)21-13)19-12-4-2-9-20(10-12)15-17-7-3-8-18-15/h3,5-8,11-12,19H,2,4,9-10H2,1H3
InChIKeyZXGXTHOCONJWBJ-UHFFFAOYSA-N
XLogP3.15
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 104652579) is N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine is CC(NC1CCCN(c2ncccn2)C1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is ZXGXTHOCONJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-11(13-5-6-14(16)21-13)19-12-4-2-9-20(10-12)15-17-7-3-8-18-15/h3,5-8,11-12,19H,2,4,9-10H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 351.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 104652579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).