4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine

C14H15BrClN5 — CID 165434047

IUPAC4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ncc(Br)cc3Cl)CC2)ncn1
InChIInChI=1S/C14H15BrClN5/c1-10-6-13(19-9-18-10)20-2-4-21(5-3-20)14-12(16)7-11(15)8-17-14/h6-9H,2-5H2,1H3
InChIKeyQPWCMDCYOJNAGK-UHFFFAOYSA-N
MW368.67 g/mol
LogP2.92
Rot. Bonds2

About 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine

4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine (PubChem CID 165434047) has the molecular formula C14H15BrClN5 and a molecular weight of 368.67 g/mol. Its IUPAC name is 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
PubChem CID165434047
Molecular FormulaC14H15BrClN5
Molecular Weight368.67 g/mol
Exact Mass367.02
IUPAC Name4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ncc(Br)cc3Cl)CC2)ncn1
InChIInChI=1S/C14H15BrClN5/c1-10-6-13(19-9-18-10)20-2-4-21(5-3-20)14-12(16)7-11(15)8-17-14/h6-9H,2-5H2,1H3
InChIKeyQPWCMDCYOJNAGK-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

Analyze 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165434180
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701414
4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 165434183
4-methyl-6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 155975470
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 133297534
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 166601581
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601791
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 84591972
2-[4-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 103580213

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine (CID 165434047) is 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCN(c3ncc(Br)cc3Cl)CC2)ncn1.
What is the InChIKey of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
The InChIKey is QPWCMDCYOJNAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5/c1-10-6-13(19-9-18-10)20-2-4-21(5-3-20)14-12(16)7-11(15)8-17-14/h6-9H,2-5H2,1H3.
What are the key properties of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-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 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 165434047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).