1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one

C13H21N5O — CID 80854837

IUPAC1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCNc1ncc(C)c(N2CCN(C)C(=O)C2(C)C)n1
InChIInChI=1S/C13H21N5O/c1-9-8-15-12(14-4)16-10(9)18-7-6-17(5)11(19)13(18,2)3/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyUYSQCZBABPYQQR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.88
Rot. Bonds2

About 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one

1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one (PubChem CID 80854837) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one
PubChem CID80854837
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCNc1ncc(C)c(N2CCN(C)C(=O)C2(C)C)n1
InChIInChI=1S/C13H21N5O/c1-9-8-15-12(14-4)16-10(9)18-7-6-17(5)11(19)13(18,2)3/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyUYSQCZBABPYQQR-UHFFFAOYSA-N
XLogP0.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one (CID 80854837) is 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one is CNc1ncc(C)c(N2CCN(C)C(=O)C2(C)C)n1.
What is the InChIKey of 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is UYSQCZBABPYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-8-15-12(14-4)16-10(9)18-7-6-17(5)11(19)13(18,2)3/h8H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one?
1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80854837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).