3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

C15H19N5O4 — CID 121159975

IUPAC3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ncn(CC(=O)N2CCC(N3C(=O)CNC3=O)C2)c(=O)c1C
InChIInChI=1S/C15H19N5O4/c1-9-10(2)17-8-19(14(9)23)7-13(22)18-4-3-11(6-18)20-12(21)5-16-15(20)24/h8,11H,3-7H2,1-2H3,(H,16,24)
InChIKeyRYDYCKGWZMXHJE-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.99
Rot. Bonds3

About 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159975) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159975
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ncn(CC(=O)N2CCC(N3C(=O)CNC3=O)C2)c(=O)c1C
InChIInChI=1S/C15H19N5O4/c1-9-10(2)17-8-19(14(9)23)7-13(22)18-4-3-11(6-18)20-12(21)5-16-15(20)24/h8,11H,3-7H2,1-2H3,(H,16,24)
InChIKeyRYDYCKGWZMXHJE-UHFFFAOYSA-N
XLogP-0.99
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159975) is 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is Cc1ncn(CC(=O)N2CCC(N3C(=O)CNC3=O)C2)c(=O)c1C.
What is the InChIKey of 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is RYDYCKGWZMXHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-9-10(2)17-8-19(14(9)23)7-13(22)18-4-3-11(6-18)20-12(21)5-16-15(20)24/h8,11H,3-7H2,1-2H3,(H,16,24).
What are the key properties of 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 333.35 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).