5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride

C9H16Cl2N4 — CID 86276657

IUPAC5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCc1cnc(N2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C9H14N4.2ClH/c1-8-6-11-9(12-7-8)13-4-2-10-3-5-13;;/h6-7,10H,2-5H2,1H3;2*1H
InChIKeyOUZDGXFSKUFQPV-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.04
Rot. Bonds1

About 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride

5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 86276657) has the molecular formula C9H16Cl2N4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID86276657
Molecular FormulaC9H16Cl2N4
Molecular Weight251.16 g/mol
Exact Mass250.08
IUPAC Name5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCc1cnc(N2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C9H14N4.2ClH/c1-8-6-11-9(12-7-8)13-4-2-10-3-5-13;;/h6-7,10H,2-5H2,1H3;2*1H
InChIKeyOUZDGXFSKUFQPV-UHFFFAOYSA-N
XLogP1.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
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-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride (CID 86276657) is 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride is Cc1cnc(N2CCNCC2)nc1.Cl.Cl.
What is the InChIKey of 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is OUZDGXFSKUFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.2ClH/c1-8-6-11-9(12-7-8)13-4-2-10-3-5-13;;/h6-7,10H,2-5H2,1H3;2*1H.
What are the key properties of 5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
5-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride has a molecular weight of 251.16 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-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 86276657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).