5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one

C15H25N5O — CID 80816175

IUPAC5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCCNc1ncnc(NC2CCC(=O)NC2)c1CCC
InChIInChI=1S/C15H25N5O/c1-3-5-12-14(16-8-4-2)18-10-19-15(12)20-11-6-7-13(21)17-9-11/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19,20)
InChIKeyKKKQENUGASDNCV-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.94
Rot. Bonds7

About 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one

5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 80816175) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID80816175
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCCNc1ncnc(NC2CCC(=O)NC2)c1CCC
InChIInChI=1S/C15H25N5O/c1-3-5-12-14(16-8-4-2)18-10-19-15(12)20-11-6-7-13(21)17-9-11/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19,20)
InChIKeyKKKQENUGASDNCV-UHFFFAOYSA-N
XLogP1.94
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one (CID 80816175) is 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one is CCCNc1ncnc(NC2CCC(=O)NC2)c1CCC.
What is the InChIKey of 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is KKKQENUGASDNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-5-12-14(16-8-4-2)18-10-19-15(12)20-11-6-7-13(21)17-9-11/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one?
5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80816175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).