1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C15H24N4O — CID 4691016

IUPAC1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cc(C)nc(N2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-10-12(2)17-14(16-11)19-8-6-18(7-9-19)13(20)15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyAUTKBDVISYRLDQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds1

About 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 4691016) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID4691016
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cc(C)nc(N2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-10-12(2)17-14(16-11)19-8-6-18(7-9-19)13(20)15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyAUTKBDVISYRLDQ-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 4691016) is 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is Cc1cc(C)nc(N2CCN(C(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AUTKBDVISYRLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-10-12(2)17-14(16-11)19-8-6-18(7-9-19)13(20)15(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 4691016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).