5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one

C10H15ClN6O — CID 55233675

IUPAC5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCN(C)c1nc(Cl)nc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C10H15ClN6O/c1-17(2)10-15-8(11)14-9(16-10)13-6-3-4-7(18)12-5-6/h6H,3-5H2,1-2H3,(H,12,18)(H,13,14,15,16)
InChIKeyNQHPJRZYRRXYCG-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.28
Rot. Bonds3

About 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one

5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (PubChem CID 55233675) has the molecular formula C10H15ClN6O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
PubChem CID55233675
Molecular FormulaC10H15ClN6O
Molecular Weight270.72 g/mol
Exact Mass270.10
IUPAC Name5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCN(C)c1nc(Cl)nc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C10H15ClN6O/c1-17(2)10-15-8(11)14-9(16-10)13-6-3-4-7(18)12-5-6/h6H,3-5H2,1-2H3,(H,12,18)(H,13,14,15,16)
InChIKeyNQHPJRZYRRXYCG-UHFFFAOYSA-N
XLogP0.28
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (CID 55233675) is 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is CN(C)c1nc(Cl)nc(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The InChIKey is NQHPJRZYRRXYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6O/c1-17(2)10-15-8(11)14-9(16-10)13-6-3-4-7(18)12-5-6/h6H,3-5H2,1-2H3,(H,12,18)(H,13,14,15,16).
What are the key properties of 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one has a molecular weight of 270.72 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 55233675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).