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

C14H15BrClN5 — CID 166601863

IUPAC2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCN(c3ncc(Cl)cc3Br)CC2)n1
InChIInChI=1S/C14H15BrClN5/c1-10-2-3-17-14(19-10)21-6-4-20(5-7-21)13-12(15)8-11(16)9-18-13/h2-3,8-9H,4-7H2,1H3
InChIKeyXSULCXIEMFLWNR-UHFFFAOYSA-N
MW368.67 g/mol
LogP2.92
Rot. Bonds2

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

2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine (PubChem CID 166601863) has the molecular formula C14H15BrClN5 and a molecular weight of 368.67 g/mol. Its IUPAC name is 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine
PubChem CID166601863
Molecular FormulaC14H15BrClN5
Molecular Weight368.67 g/mol
Exact Mass367.02
IUPAC Name2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCN(c3ncc(Cl)cc3Br)CC2)n1
InChIInChI=1S/C14H15BrClN5/c1-10-2-3-17-14(19-10)21-6-4-20(5-7-21)13-12(15)8-11(16)9-18-13/h2-3,8-9H,4-7H2,1H3
InChIKeyXSULCXIEMFLWNR-UHFFFAOYSA-N
XLogP2.92
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine (CID 166601863) is 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine is Cc1ccnc(N2CCN(c3ncc(Cl)cc3Br)CC2)n1.
What is the InChIKey of 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine?
The InChIKey is XSULCXIEMFLWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5/c1-10-2-3-17-14(19-10)21-6-4-20(5-7-21)13-12(15)8-11(16)9-18-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine?
2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine has a molecular weight of 368.67 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 166601863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).