5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine

C15H17BrN4 — CID 66343054

IUPAC5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3ncncc3Br)CC2)c1
InChIInChI=1S/C15H17BrN4/c1-12-3-2-4-13(9-12)19-5-7-20(8-6-19)15-14(16)10-17-11-18-15/h2-4,9-11H,5-8H2,1H3
InChIKeyKNMXRPBEYHRGII-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.87
Rot. Bonds2

About 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine

5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 66343054) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
PubChem CID66343054
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC Name5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3ncncc3Br)CC2)c1
InChIInChI=1S/C15H17BrN4/c1-12-3-2-4-13(9-12)19-5-7-20(8-6-19)15-14(16)10-17-11-18-15/h2-4,9-11H,5-8H2,1H3
InChIKeyKNMXRPBEYHRGII-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 66342373
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 66341717
6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
CID 21002638
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66342072
1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 15124641
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 65418435
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
3-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]aniline
CID 114836432

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine (CID 66343054) is 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine is Cc1cccc(N2CCN(c3ncncc3Br)CC2)c1.
What is the InChIKey of 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is KNMXRPBEYHRGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c1-12-3-2-4-13(9-12)19-5-7-20(8-6-19)15-14(16)10-17-11-18-15/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 333.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 66343054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).