4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine

C20H20BrN5 — CID 5080147

IUPAC4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
SMILESCN1CCN(c2cc(-c3cncc(Br)c3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H20BrN5/c1-25-7-9-26(10-8-25)19-12-18(16-11-17(21)14-22-13-16)23-20(24-19)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3
InChIKeySIOPWHOQYNNCPL-UHFFFAOYSA-N
MW410.32 g/mol
LogP3.72
Rot. Bonds3

About 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine

4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (PubChem CID 5080147) has the molecular formula C20H20BrN5 and a molecular weight of 410.32 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
PubChem CID5080147
Molecular FormulaC20H20BrN5
Molecular Weight410.32 g/mol
Exact Mass409.09
IUPAC Name4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
SMILESCN1CCN(c2cc(-c3cncc(Br)c3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H20BrN5/c1-25-7-9-26(10-8-25)19-12-18(16-11-17(21)14-22-13-16)23-20(24-19)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3
InChIKeySIOPWHOQYNNCPL-UHFFFAOYSA-N
XLogP3.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (CID 5080147) is 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is CN1CCN(c2cc(-c3cncc(Br)c3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The InChIKey is SIOPWHOQYNNCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5/c1-25-7-9-26(10-8-25)19-12-18(16-11-17(21)14-22-13-16)23-20(24-19)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine has a molecular weight of 410.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is sourced from PubChem (CID 5080147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).