4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one

C9H12N4O — CID 106198193

IUPAC4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
SMILESNc1cc(NC2CNC(=O)C2)ccn1
InChIInChI=1S/C9H12N4O/c10-8-3-6(1-2-11-8)13-7-4-9(14)12-5-7/h1-3,7H,4-5H2,(H,12,14)(H3,10,11,13)
InChIKeyKXAUGWOCNOZZDS-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.04
Rot. Bonds2

About 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one

4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 106198193) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
PubChem CID106198193
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
SMILESNc1cc(NC2CNC(=O)C2)ccn1
InChIInChI=1S/C9H12N4O/c10-8-3-6(1-2-11-8)13-7-4-9(14)12-5-7/h1-3,7H,4-5H2,(H,12,14)(H3,10,11,13)
InChIKeyKXAUGWOCNOZZDS-UHFFFAOYSA-N
XLogP-0.04
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one (CID 106198193) is 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one is Nc1cc(NC2CNC(=O)C2)ccn1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is KXAUGWOCNOZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-8-3-6(1-2-11-8)13-7-4-9(14)12-5-7/h1-3,7H,4-5H2,(H,12,14)(H3,10,11,13).
What are the key properties of 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one?
4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).