5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C13H18N4O3 — CID 62275421

IUPAC5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC1C1CCCN1
InChIInChI=1S/C13H18N4O3/c18-11-8(7-15-13(20)16-11)12(19)17-6-2-4-10(17)9-3-1-5-14-9/h7,9-10,14H,1-6H2,(H2,15,16,18,20)
InChIKeyORVKUTHQKWGURL-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.58
Rot. Bonds2

About 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 62275421) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID62275421
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC1C1CCCN1
InChIInChI=1S/C13H18N4O3/c18-11-8(7-15-13(20)16-11)12(19)17-6-2-4-10(17)9-3-1-5-14-9/h7,9-10,14H,1-6H2,(H2,15,16,18,20)
InChIKeyORVKUTHQKWGURL-UHFFFAOYSA-N
XLogP-0.58
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 62275421) is 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC1C1CCCN1.
What is the InChIKey of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ORVKUTHQKWGURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-11-8(7-15-13(20)16-11)12(19)17-6-2-4-10(17)9-3-1-5-14-9/h7,9-10,14H,1-6H2,(H2,15,16,18,20).
What are the key properties of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62275421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).