5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride

C16H21ClN4 — CID 170986684

IUPAC5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCc1nc(N2CCNCC2)ncc1Cc1ccccc1.Cl
InChIInChI=1S/C16H20N4.ClH/c1-13-15(11-14-5-3-2-4-6-14)12-18-16(19-13)20-9-7-17-8-10-20;/h2-6,12,17H,7-11H2,1H3;1H
InChIKeyNJEOROLVNRTCRI-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.21
Rot. Bonds3

About 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride

5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride (PubChem CID 170986684) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride
PubChem CID170986684
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCc1nc(N2CCNCC2)ncc1Cc1ccccc1.Cl
InChIInChI=1S/C16H20N4.ClH/c1-13-15(11-14-5-3-2-4-6-14)12-18-16(19-13)20-9-7-17-8-10-20;/h2-6,12,17H,7-11H2,1H3;1H
InChIKeyNJEOROLVNRTCRI-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride (CID 170986684) is 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride is Cc1nc(N2CCNCC2)ncc1Cc1ccccc1.Cl.
What is the InChIKey of 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride?
The InChIKey is NJEOROLVNRTCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.ClH/c1-13-15(11-14-5-3-2-4-6-14)12-18-16(19-13)20-9-7-17-8-10-20;/h2-6,12,17H,7-11H2,1H3;1H.
What are the key properties of 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride?
5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 170986684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).