5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine

C10H15BrN4 — CID 122620941

IUPAC5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN[C@H](C)C2)ncc1Br
InChIInChI=1S/C10H15BrN4/c1-7-6-15(4-3-12-7)10-13-5-9(11)8(2)14-10/h5,7,12H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyOYAFPKWSBJDFLL-SSDOTTSWSA-N
MW271.16 g/mol
LogP1.35
Rot. Bonds1

About 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine

5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 122620941) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
PubChem CID122620941
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN[C@H](C)C2)ncc1Br
InChIInChI=1S/C10H15BrN4/c1-7-6-15(4-3-12-7)10-13-5-9(11)8(2)14-10/h5,7,12H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyOYAFPKWSBJDFLL-SSDOTTSWSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine (CID 122620941) is 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine is Cc1nc(N2CCN[C@H](C)C2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is OYAFPKWSBJDFLL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15BrN4/c1-7-6-15(4-3-12-7)10-13-5-9(11)8(2)14-10/h5,7,12H,3-4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 271.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 122620941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).