5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one

C12H19N5O — CID 80834053

IUPAC5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCc1c(NC)ncnc1NC1CCC(=O)NC1
InChIInChI=1S/C12H19N5O/c1-3-9-11(13-2)15-7-16-12(9)17-8-4-5-10(18)14-6-8/h7-8H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16,17)
InChIKeyHNRWJLJBQJXYKN-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.77
Rot. Bonds4

About 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one

5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 80834053) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID80834053
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCc1c(NC)ncnc1NC1CCC(=O)NC1
InChIInChI=1S/C12H19N5O/c1-3-9-11(13-2)15-7-16-12(9)17-8-4-5-10(18)14-6-8/h7-8H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16,17)
InChIKeyHNRWJLJBQJXYKN-UHFFFAOYSA-N
XLogP0.77
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one (CID 80834053) is 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one is CCc1c(NC)ncnc1NC1CCC(=O)NC1.
What is the InChIKey of 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is HNRWJLJBQJXYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-9-11(13-2)15-7-16-12(9)17-8-4-5-10(18)14-6-8/h7-8H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one?
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80834053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).