6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C8H10N4O3 — CID 65244753

IUPAC6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C8H10N4O3/c9-4-2-12(3-4)7(14)5-1-6(13)11-8(15)10-5/h1,4H,2-3,9H2,(H2,10,11,13,15)
InChIKeyOMGSRLLOYMLCHJ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-2.15
Rot. Bonds1

About 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione

6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 65244753) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID65244753
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C8H10N4O3/c9-4-2-12(3-4)7(14)5-1-6(13)11-8(15)10-5/h1,4H,2-3,9H2,(H2,10,11,13,15)
InChIKeyOMGSRLLOYMLCHJ-UHFFFAOYSA-N
XLogP-2.15
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 65244753) is 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione is NC1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OMGSRLLOYMLCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-4-2-12(3-4)7(14)5-1-6(13)11-8(15)10-5/h1,4H,2-3,9H2,(H2,10,11,13,15).
What are the key properties of 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 65244753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).