1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol

C21H30N4O — CID 46029471

IUPAC1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1nc(C)c(Cc2ccccc2)c(N2CCN(CC(C)(C)O)CC2)n1
InChIInChI=1S/C21H30N4O/c1-16-19(14-18-8-6-5-7-9-18)20(23-17(2)22-16)25-12-10-24(11-13-25)15-21(3,4)26/h5-9,26H,10-15H2,1-4H3
InChIKeyABTKZHUQHWEHFF-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.58
Rot. Bonds5

About 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol

1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 46029471) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID46029471
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1nc(C)c(Cc2ccccc2)c(N2CCN(CC(C)(C)O)CC2)n1
InChIInChI=1S/C21H30N4O/c1-16-19(14-18-8-6-5-7-9-18)20(23-17(2)22-16)25-12-10-24(11-13-25)15-21(3,4)26/h5-9,26H,10-15H2,1-4H3
InChIKeyABTKZHUQHWEHFF-UHFFFAOYSA-N
XLogP2.58
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol (CID 46029471) is 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol is Cc1nc(C)c(Cc2ccccc2)c(N2CCN(CC(C)(C)O)CC2)n1.
What is the InChIKey of 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is ABTKZHUQHWEHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16-19(14-18-8-6-5-7-9-18)20(23-17(2)22-16)25-12-10-24(11-13-25)15-21(3,4)26/h5-9,26H,10-15H2,1-4H3.
What are the key properties of 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 354.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 46029471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).