4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine

C17H22N4 — CID 157251381

IUPAC4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine
SMILESCc1ccc(Cc2cc(C)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-13-3-5-15(6-4-13)12-16-11-14(2)19-17(20-16)21-9-7-18-8-10-21/h3-6,11,18H,7-10,12H2,1-2H3
InChIKeyAWJPNMHAUCFEJR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.09
Rot. Bonds3

About 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine

4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine (PubChem CID 157251381) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine
PubChem CID157251381
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine
SMILESCc1ccc(Cc2cc(C)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-13-3-5-15(6-4-13)12-16-11-14(2)19-17(20-16)21-9-7-18-8-10-21/h3-6,11,18H,7-10,12H2,1-2H3
InChIKeyAWJPNMHAUCFEJR-UHFFFAOYSA-N
XLogP2.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine (CID 157251381) is 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine is Cc1ccc(Cc2cc(C)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine?
The InChIKey is AWJPNMHAUCFEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-3-5-15(6-4-13)12-16-11-14(2)19-17(20-16)21-9-7-18-8-10-21/h3-6,11,18H,7-10,12H2,1-2H3.
What are the key properties of 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine?
4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 157251381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).