4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one

C13H14N6O — CID 168701244

IUPAC4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESNc1nc(-c2ccccc2)nc(N2CC(N)CC2=O)n1
InChIInChI=1S/C13H14N6O/c14-9-6-10(20)19(7-9)13-17-11(16-12(15)18-13)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H2,15,16,17,18)
InChIKeyZHSLRSONHWVSAV-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.18
Rot. Bonds2

About 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one

4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one (PubChem CID 168701244) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one
PubChem CID168701244
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESNc1nc(-c2ccccc2)nc(N2CC(N)CC2=O)n1
InChIInChI=1S/C13H14N6O/c14-9-6-10(20)19(7-9)13-17-11(16-12(15)18-13)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H2,15,16,17,18)
InChIKeyZHSLRSONHWVSAV-UHFFFAOYSA-N
XLogP0.18
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983
4-amino-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168700677
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
6-phenyl-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione
CID 23514227
4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
CID 168701329
formamide;6-phenyl-1,3,5-triazine-2,4-diamine
CID 90097398
4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
CID 168701052
4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one
CID 168701308
5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
CID 168700057
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one (CID 168701244) is 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one is Nc1nc(-c2ccccc2)nc(N2CC(N)CC2=O)n1.
What is the InChIKey of 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one?
The InChIKey is ZHSLRSONHWVSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-9-6-10(20)19(7-9)13-17-11(16-12(15)18-13)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H2,15,16,17,18).
What are the key properties of 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one?
4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one has a molecular weight of 270.30 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168701244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).