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

C9H13BrN4 — CID 4128158

IUPAC5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C9H13BrN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3
InChIKeyPRYPBGVWKANVLV-UHFFFAOYSA-N
MW257.13 g/mol
LogP0.99
Rot. Bonds1

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

5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 4128158) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID4128158
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C9H13BrN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3
InChIKeyPRYPBGVWKANVLV-UHFFFAOYSA-N
XLogP0.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine (CID 4128158) is 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is PRYPBGVWKANVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3.
What are the key properties of 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine?
5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 257.13 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 4128158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).