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

C11H17ClN6O — CID 106192262

IUPAC4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
SMILESCCN(CC)c1nc(Cl)nc(NC2CNC(=O)C2)n1
InChIInChI=1S/C11H17ClN6O/c1-3-18(4-2)11-16-9(12)15-10(17-11)14-7-5-8(19)13-6-7/h7H,3-6H2,1-2H3,(H,13,19)(H,14,15,16,17)
InChIKeyYFKTUNFLBKLNTB-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.67
Rot. Bonds5

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

4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one (PubChem CID 106192262) has the molecular formula C11H17ClN6O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
PubChem CID106192262
Molecular FormulaC11H17ClN6O
Molecular Weight284.75 g/mol
Exact Mass284.12
IUPAC Name4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
SMILESCCN(CC)c1nc(Cl)nc(NC2CNC(=O)C2)n1
InChIInChI=1S/C11H17ClN6O/c1-3-18(4-2)11-16-9(12)15-10(17-11)14-7-5-8(19)13-6-7/h7H,3-6H2,1-2H3,(H,13,19)(H,14,15,16,17)
InChIKeyYFKTUNFLBKLNTB-UHFFFAOYSA-N
XLogP0.67
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one (CID 106192262) is 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one is CCN(CC)c1nc(Cl)nc(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
The InChIKey is YFKTUNFLBKLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN6O/c1-3-18(4-2)11-16-9(12)15-10(17-11)14-7-5-8(19)13-6-7/h7H,3-6H2,1-2H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one has a molecular weight of 284.75 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106192262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).