3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

C19H32N6O — CID 70703521

IUPAC3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C19H32N6O/c1-15(2)13-19(26)25-11-9-24(10-12-25)18-14-17(20-16(3)21-18)23-7-5-22(4)6-8-23/h14-15H,5-13H2,1-4H3
InChIKeyFOTKOFVFCRINQU-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.23
Rot. Bonds4

About 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one (PubChem CID 70703521) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
PubChem CID70703521
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C19H32N6O/c1-15(2)13-19(26)25-11-9-24(10-12-25)18-14-17(20-16(3)21-18)23-7-5-22(4)6-8-23/h14-15H,5-13H2,1-4H3
InChIKeyFOTKOFVFCRINQU-UHFFFAOYSA-N
XLogP1.23
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
3-methyl-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 50748360
2-(2-chlorophenyl)-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122341006
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702820
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 122341007
(3,5-dimethoxyphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340967
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982
(2-iodophenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122341241
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121038195
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one (CID 70703521) is 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one is Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CC(C)C)CC2)n1.
What is the InChIKey of 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The InChIKey is FOTKOFVFCRINQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-15(2)13-19(26)25-11-9-24(10-12-25)18-14-17(20-16(3)21-18)23-7-5-22(4)6-8-23/h14-15H,5-13H2,1-4H3.
What are the key properties of 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one has a molecular weight of 360.51 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 70703521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).