5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine

C9H13BrN4 — CID 66340193

IUPAC5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine
SMILESCC1CNCCN1c1ncncc1Br
InChIInChI=1S/C9H13BrN4/c1-7-4-11-2-3-14(7)9-8(10)5-12-6-13-9/h5-7,11H,2-4H2,1H3
InChIKeyMNJGZNRFVUMSMD-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.04
Rot. Bonds1

About 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine

5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine (PubChem CID 66340193) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine
PubChem CID66340193
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine
SMILESCC1CNCCN1c1ncncc1Br
InChIInChI=1S/C9H13BrN4/c1-7-4-11-2-3-14(7)9-8(10)5-12-6-13-9/h5-7,11H,2-4H2,1H3
InChIKeyMNJGZNRFVUMSMD-UHFFFAOYSA-N
XLogP1.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine (CID 66340193) is 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine is CC1CNCCN1c1ncncc1Br.
What is the InChIKey of 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine?
The InChIKey is MNJGZNRFVUMSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c1-7-4-11-2-3-14(7)9-8(10)5-12-6-13-9/h5-7,11H,2-4H2,1H3.
What are the key properties of 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine?
5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine has a molecular weight of 257.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 66340193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).