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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Related Compounds

5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 79502730
2-(1-aminoethyl)-5-(2-methylphenyl)-1H-pyrimidine-4,6-dione
CID 79502737
2-(1-chloroethyl)-5-(2-methylphenyl)-1H-pyrimidine-4,6-dione
CID 80656170
5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 67931396
3-(2-methylphenyl)-4-sulfanylidenepyrrolidine-2,5-dione
CID 21486134
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2-(2-methylphenyl)piperidin-3-ol
CID 82403237
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79960820
(2S,4S)-2-(2-methylphenyl)piperidin-4-amine
CID 82656145
3-(2-methylphenyl)-1,4-thiazepane 1-oxide
CID 66220011
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348

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).