4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

C17H28N4O2 — CID 136566466

IUPAC4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCN(C)CC2CC(C)C)c(=O)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)8-15-10-19(5)6-7-20(15)16(22)11-21-14(4)9-13(3)18-17(21)23/h9,12,15H,6-8,10-11H2,1-5H3
InChIKeyVYKAJNGUFMQJFQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.05
Rot. Bonds4

About 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 136566466) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID136566466
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCN(C)CC2CC(C)C)c(=O)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)8-15-10-19(5)6-7-20(15)16(22)11-21-14(4)9-13(3)18-17(21)23/h9,12,15H,6-8,10-11H2,1-5H3
InChIKeyVYKAJNGUFMQJFQ-UHFFFAOYSA-N
XLogP1.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 136566466) is 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is Cc1cc(C)n(CC(=O)N2CCN(C)CC2CC(C)C)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is VYKAJNGUFMQJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)8-15-10-19(5)6-7-20(15)16(22)11-21-14(4)9-13(3)18-17(21)23/h9,12,15H,6-8,10-11H2,1-5H3.
What are the key properties of 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 136566466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).