5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione

C14H15N3O2 — CID 23648529

IUPAC5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O2/c18-13-11(10-6-2-1-3-7-10)12(15-14(19)16-13)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H2,15,16,18,19)
InChIKeyONWVORXAUHKKSX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.33
Rot. Bonds2

About 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione

5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione (PubChem CID 23648529) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
PubChem CID23648529
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O2/c18-13-11(10-6-2-1-3-7-10)12(15-14(19)16-13)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H2,15,16,18,19)
InChIKeyONWVORXAUHKKSX-UHFFFAOYSA-N
XLogP1.33
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione (CID 23648529) is 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione is O=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The InChIKey is ONWVORXAUHKKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-11(10-6-2-1-3-7-10)12(15-14(19)16-13)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H2,15,16,18,19).
What are the key properties of 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione has a molecular weight of 257.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).