5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one

C21H29N7O2 — CID 122343093

IUPAC5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(=O)c1C
InChIInChI=1S/C21H29N7O2/c1-16-17(2)24-15-28(21(16)30)13-20(29)27-10-8-26(9-11-27)19-12-18(22-14-23-19)25-6-4-3-5-7-25/h12,14-15H,3-11,13H2,1-2H3
InChIKeyUUAZTLHWCXUGHL-UHFFFAOYSA-N
MW411.51 g/mol
LogP0.99
Rot. Bonds4

About 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one

5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 122343093) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
PubChem CID122343093
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(=O)c1C
InChIInChI=1S/C21H29N7O2/c1-16-17(2)24-15-28(21(16)30)13-20(29)27-10-8-26(9-11-27)19-12-18(22-14-23-19)25-6-4-3-5-7-25/h12,14-15H,3-11,13H2,1-2H3
InChIKeyUUAZTLHWCXUGHL-UHFFFAOYSA-N
XLogP0.99
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 122279486
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544343
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546186
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317893
5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122347190
5,6-dimethyl-3-[2-oxo-2-[(3S)-3-phenylazepan-1-yl]ethyl]pyrimidin-4-one
CID 129354905
1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154830256
6-methyl-3-[2-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122333139
6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122337587
3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122337549
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propan-1-one
CID 53069406

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one (CID 122343093) is 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one is Cc1ncn(CC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is UUAZTLHWCXUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-16-17(2)24-15-28(21(16)30)13-20(29)27-10-8-26(9-11-27)19-12-18(22-14-23-19)25-6-4-3-5-7-25/h12,14-15H,3-11,13H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 411.51 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 122343093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).