4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine

C17H22N4 — CID 171335728

IUPAC4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1ccc(C)c(N2CCN(c3cc(C)ncn3)CC2)c1
InChIInChI=1S/C17H22N4/c1-13-4-5-14(2)16(10-13)20-6-8-21(9-7-20)17-11-15(3)18-12-19-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyYBSFTQZKYAMFPP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.73
Rot. Bonds2

About 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine (PubChem CID 171335728) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
PubChem CID171335728
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1ccc(C)c(N2CCN(c3cc(C)ncn3)CC2)c1
InChIInChI=1S/C17H22N4/c1-13-4-5-14(2)16(10-13)20-6-8-21(9-7-20)17-11-15(3)18-12-19-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyYBSFTQZKYAMFPP-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine (CID 171335728) is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine is Cc1ccc(C)c(N2CCN(c3cc(C)ncn3)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine?
The InChIKey is YBSFTQZKYAMFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-4-5-14(2)16(10-13)20-6-8-21(9-7-20)17-11-15(3)18-12-19-17/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine?
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 171335728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).