5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione

C8H12N4O2 — CID 115114622

IUPAC5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione
SMILESNc1cn(C2CCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N4O2/c9-5-4-12(6-2-1-3-10-6)8(14)11-7(5)13/h4,6,10H,1-3,9H2,(H,11,13,14)
InChIKeyYYCOBEBOLJIGRV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.00
Rot. Bonds1

About 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione

5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione (PubChem CID 115114622) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione
PubChem CID115114622
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione
SMILESNc1cn(C2CCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N4O2/c9-5-4-12(6-2-1-3-10-6)8(14)11-7(5)13/h4,6,10H,1-3,9H2,(H,11,13,14)
InChIKeyYYCOBEBOLJIGRV-UHFFFAOYSA-N
XLogP-1.00
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione
CID 115114621
5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione
CID 165482457
5-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70974098
5-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 7272022
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-amino-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7457383
5-amino-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 125183085
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367
5-methyl-1-piperidin-3-ylpyrimidine-2,4-dione
CID 51050595
1-pyrrolidin-2-ylazetidin-2-one
CID 112546295
5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione
CID 115114598
3-pyrrolidin-2-ylquinazolin-4-one
CID 117263616

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione (CID 115114622) is 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione is Nc1cn(C2CCCN2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione?
The InChIKey is YYCOBEBOLJIGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-5-4-12(6-2-1-3-10-6)8(14)11-7(5)13/h4,6,10H,1-3,9H2,(H,11,13,14).
What are the key properties of 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione?
5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 115114622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).