4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine

C16H20N4 — CID 82487669

IUPAC4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
SMILESCc1ccc(-c2ccnc(N3CCNCC3)n2)c(C)c1
InChIInChI=1S/C16H20N4/c1-12-3-4-14(13(2)11-12)15-5-6-18-16(19-15)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3
InChIKeyCVIKIKVYNTUONC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine

4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine (PubChem CID 82487669) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
PubChem CID82487669
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
SMILESCc1ccc(-c2ccnc(N3CCNCC3)n2)c(C)c1
InChIInChI=1S/C16H20N4/c1-12-3-4-14(13(2)11-12)15-5-6-18-16(19-15)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3
InChIKeyCVIKIKVYNTUONC-UHFFFAOYSA-N
XLogP2.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine (CID 82487669) is 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine is Cc1ccc(-c2ccnc(N3CCNCC3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is CVIKIKVYNTUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-3-4-14(13(2)11-12)15-5-6-18-16(19-15)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine?
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 82487669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).