6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione

C14H12N4O4 — CID 134838028

IUPAC6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione
SMILESNc1[nH]c(=O)[nH]c(=O)c1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H12N4O4/c15-11-10(12(20)17-14(22)16-11)8-6-9(19)18(13(8)21)7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,15,16,17,20,22)
InChIKeyKPZBWOKKBBWAGC-UHFFFAOYSA-N
MW300.27 g/mol
LogP-0.31
Rot. Bonds2

About 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione

6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 134838028) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID134838028
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione
SMILESNc1[nH]c(=O)[nH]c(=O)c1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H12N4O4/c15-11-10(12(20)17-14(22)16-11)8-6-9(19)18(13(8)21)7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,15,16,17,20,22)
InChIKeyKPZBWOKKBBWAGC-UHFFFAOYSA-N
XLogP-0.31
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione (CID 134838028) is 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione is Nc1[nH]c(=O)[nH]c(=O)c1C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is KPZBWOKKBBWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c15-11-10(12(20)17-14(22)16-11)8-6-9(19)18(13(8)21)7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,15,16,17,20,22).
What are the key properties of 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione?
6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 300.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134838028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).