2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine

C12H20BrN5 — CID 63873972

IUPAC2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C12H20BrN5/c1-12(2,9-14)18-5-3-17(4-6-18)11-15-7-10(13)8-16-11/h7-8H,3-6,9,14H2,1-2H3
InChIKeyGYQHRAQDTRORKO-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.10
Rot. Bonds3

About 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine

2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 63873972) has the molecular formula C12H20BrN5 and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID63873972
Molecular FormulaC12H20BrN5
Molecular Weight314.23 g/mol
Exact Mass313.09
IUPAC Name2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C12H20BrN5/c1-12(2,9-14)18-5-3-17(4-6-18)11-15-7-10(13)8-16-11/h7-8H,3-6,9,14H2,1-2H3
InChIKeyGYQHRAQDTRORKO-UHFFFAOYSA-N
XLogP1.10
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine (CID 63873972) is 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is GYQHRAQDTRORKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5/c1-12(2,9-14)18-5-3-17(4-6-18)11-15-7-10(13)8-16-11/h7-8H,3-6,9,14H2,1-2H3.
What are the key properties of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 314.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 63873972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).