1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one

C14H15N5O2 — CID 91771728

IUPAC1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(Nc3ncncn3)CC2=O)cc1
InChIInChI=1S/C14H15N5O2/c1-21-12-4-2-11(3-5-12)19-7-10(6-13(19)20)18-14-16-8-15-9-17-14/h2-5,8-10H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyHJMRGKXNRJSJQU-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.10
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one

1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one (PubChem CID 91771728) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one
PubChem CID91771728
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(Nc3ncncn3)CC2=O)cc1
InChIInChI=1S/C14H15N5O2/c1-21-12-4-2-11(3-5-12)19-7-10(6-13(19)20)18-14-16-8-15-9-17-14/h2-5,8-10H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyHJMRGKXNRJSJQU-UHFFFAOYSA-N
XLogP1.10
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one
CID 121187367
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 125164428
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
methyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7545296

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one (CID 91771728) is 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one is COc1ccc(N2CC(Nc3ncncn3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one?
The InChIKey is HJMRGKXNRJSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-12-4-2-11(3-5-12)19-7-10(6-13(19)20)18-14-16-8-15-9-17-14/h2-5,8-10H,6-7H2,1H3,(H,15,16,17,18).
What are the key properties of 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one has a molecular weight of 285.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 91771728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).