2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine

C14H15BrClN5O — CID 171701414

IUPAC2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCN(c3ncc(Br)cc3Cl)CC2)nc1
InChIInChI=1S/C14H15BrClN5O/c1-22-11-8-18-14(19-9-11)21-4-2-20(3-5-21)13-12(16)6-10(15)7-17-13/h6-9H,2-5H2,1H3
InChIKeyNKXCGGLWXZNYNF-UHFFFAOYSA-N
MW384.67 g/mol
LogP2.62
Rot. Bonds3

About 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine

2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine (PubChem CID 171701414) has the molecular formula C14H15BrClN5O and a molecular weight of 384.67 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
PubChem CID171701414
Molecular FormulaC14H15BrClN5O
Molecular Weight384.67 g/mol
Exact Mass383.01
IUPAC Name2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCN(c3ncc(Br)cc3Cl)CC2)nc1
InChIInChI=1S/C14H15BrClN5O/c1-22-11-8-18-14(19-9-11)21-4-2-20(3-5-21)13-12(16)6-10(15)7-17-13/h6-9H,2-5H2,1H3
InChIKeyNKXCGGLWXZNYNF-UHFFFAOYSA-N
XLogP2.62
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.67
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
The IUPAC name of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine (CID 171701414) is 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine.
What is the SMILES notation for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
The canonical SMILES for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine is COc1cnc(N2CCN(c3ncc(Br)cc3Cl)CC2)nc1.
What is the InChIKey of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
The InChIKey is NKXCGGLWXZNYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5O/c1-22-11-8-18-14(19-9-11)21-4-2-20(3-5-21)13-12(16)6-10(15)7-17-13/h6-9H,2-5H2,1H3.
What are the key properties of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine has a molecular weight of 384.67 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine is sourced from PubChem (CID 171701414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).