6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

C9H13N3O3 — CID 56770229

IUPAC6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(O)C2)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-11-8(14)4-7(10-9(11)15)12-3-2-6(13)5-12/h4,6,13H,2-3,5H2,1H3,(H,10,15)
InChIKeyDASJSNJGGSLZOD-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.36
Rot. Bonds1

About 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 56770229) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID56770229
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(O)C2)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-11-8(14)4-7(10-9(11)15)12-3-2-6(13)5-12/h4,6,13H,2-3,5H2,1H3,(H,10,15)
InChIKeyDASJSNJGGSLZOD-UHFFFAOYSA-N
XLogP-1.36
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 56770229) is 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC(O)C2)[nH]c1=O.
What is the InChIKey of 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is DASJSNJGGSLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-8(14)4-7(10-9(11)15)12-3-2-6(13)5-12/h4,6,13H,2-3,5H2,1H3,(H,10,15).
What are the key properties of 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56770229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).