5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine

C14H15Br2N5 — CID 133302563

IUPAC5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESBrc1ccc(CN2CCN(c3ncc(Br)cn3)CC2)nc1
InChIInChI=1S/C14H15Br2N5/c15-11-1-2-13(17-7-11)10-20-3-5-21(6-4-20)14-18-8-12(16)9-19-14/h1-2,7-9H,3-6,10H2
InChIKeyYBVYMCYTYWSNAG-UHFFFAOYSA-N
MW413.12 g/mol
LogP2.72
Rot. Bonds3

About 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine

5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 133302563) has the molecular formula C14H15Br2N5 and a molecular weight of 413.12 g/mol. Its IUPAC name is 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID133302563
Molecular FormulaC14H15Br2N5
Molecular Weight413.12 g/mol
Exact Mass410.97
IUPAC Name5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESBrc1ccc(CN2CCN(c3ncc(Br)cn3)CC2)nc1
InChIInChI=1S/C14H15Br2N5/c15-11-1-2-13(17-7-11)10-20-3-5-21(6-4-20)14-18-8-12(16)9-19-14/h1-2,7-9H,3-6,10H2
InChIKeyYBVYMCYTYWSNAG-UHFFFAOYSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.12
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (CID 133302563) is 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is Brc1ccc(CN2CCN(c3ncc(Br)cn3)CC2)nc1.
What is the InChIKey of 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is YBVYMCYTYWSNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N5/c15-11-1-2-13(17-7-11)10-20-3-5-21(6-4-20)14-18-8-12(16)9-19-14/h1-2,7-9H,3-6,10H2.
What are the key properties of 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 413.12 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133302563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).