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

C9H14N4O2 — CID 56770225

IUPAC6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(N)C2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-12-8(14)4-7(11-9(12)15)13-3-2-6(10)5-13/h4,6H,2-3,5,10H2,1H3,(H,11,15)
InChIKeyUGJRXUBHLURIGO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.39
Rot. Bonds1

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

6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 56770225) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID56770225
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(N)C2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-12-8(14)4-7(11-9(12)15)13-3-2-6(10)5-13/h4,6H,2-3,5,10H2,1H3,(H,11,15)
InChIKeyUGJRXUBHLURIGO-UHFFFAOYSA-N
XLogP-1.39
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 56770225) is 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC(N)C2)[nH]c1=O.
What is the InChIKey of 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UGJRXUBHLURIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-8(14)4-7(11-9(12)15)13-3-2-6(10)5-13/h4,6H,2-3,5,10H2,1H3,(H,11,15).
What are the key properties of 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56770225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).