5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C9H12N4O3 — CID 62067817

IUPAC5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H12N4O3/c10-5-1-2-13(4-5)8(15)6-3-11-9(16)12-7(6)14/h3,5H,1-2,4,10H2,(H2,11,12,14,16)
InChIKeyCFDVBHVZIFEDIR-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.76
Rot. Bonds1

About 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 62067817) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID62067817
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H12N4O3/c10-5-1-2-13(4-5)8(15)6-3-11-9(16)12-7(6)14/h3,5H,1-2,4,10H2,(H2,11,12,14,16)
InChIKeyCFDVBHVZIFEDIR-UHFFFAOYSA-N
XLogP-1.76
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 62067817) is 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione is NC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CFDVBHVZIFEDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-5-1-2-13(4-5)8(15)6-3-11-9(16)12-7(6)14/h3,5H,1-2,4,10H2,(H2,11,12,14,16).
What are the key properties of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 224.22 g/mol, XLogP of -1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62067817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).