3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one

C11H17N5O — CID 80833928

IUPAC3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCNc1cc(N2CCNC(=O)C2(C)C)ncn1
InChIInChI=1S/C11H17N5O/c1-11(2)10(17)13-4-5-16(11)9-6-8(12-3)14-7-15-9/h6-7H,4-5H2,1-3H3,(H,13,17)(H,12,14,15)
InChIKeyIZOYIDBCHZPASJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.23
Rot. Bonds2

About 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one

3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one (PubChem CID 80833928) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
PubChem CID80833928
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCNc1cc(N2CCNC(=O)C2(C)C)ncn1
InChIInChI=1S/C11H17N5O/c1-11(2)10(17)13-4-5-16(11)9-6-8(12-3)14-7-15-9/h6-7H,4-5H2,1-3H3,(H,13,17)(H,12,14,15)
InChIKeyIZOYIDBCHZPASJ-UHFFFAOYSA-N
XLogP0.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one (CID 80833928) is 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one is CNc1cc(N2CCNC(=O)C2(C)C)ncn1.
What is the InChIKey of 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is IZOYIDBCHZPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2)10(17)13-4-5-16(11)9-6-8(12-3)14-7-15-9/h6-7H,4-5H2,1-3H3,(H,13,17)(H,12,14,15).
What are the key properties of 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80833928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).