5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione

C15H17N3O2 — CID 79501230

IUPAC5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
SMILESCc1ccccc1C1C(=O)N=C(C2CCCN2)NC1=O
InChIInChI=1S/C15H17N3O2/c1-9-5-2-3-6-10(9)12-14(19)17-13(18-15(12)20)11-7-4-8-16-11/h2-3,5-6,11-12,16H,4,7-8H2,1H3,(H,17,18,19,20)
InChIKeySWGFZSDNUJRYMY-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.89
Rot. Bonds2

About 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione

5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 79501230) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
PubChem CID79501230
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
SMILESCc1ccccc1C1C(=O)N=C(C2CCCN2)NC1=O
InChIInChI=1S/C15H17N3O2/c1-9-5-2-3-6-10(9)12-14(19)17-13(18-15(12)20)11-7-4-8-16-11/h2-3,5-6,11-12,16H,4,7-8H2,1H3,(H,17,18,19,20)
InChIKeySWGFZSDNUJRYMY-UHFFFAOYSA-N
XLogP0.89
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione (CID 79501230) is 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione is Cc1ccccc1C1C(=O)N=C(C2CCCN2)NC1=O.
What is the InChIKey of 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is SWGFZSDNUJRYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-2-3-6-10(9)12-14(19)17-13(18-15(12)20)11-7-4-8-16-11/h2-3,5-6,11-12,16H,4,7-8H2,1H3,(H,17,18,19,20).
What are the key properties of 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione?
5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 271.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).