5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione

C7H11N2O2+ — CID 58462473

IUPAC5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione
SMILESCC(C)C1C=[NH+]C(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-8-7(11)9-6(5)10/h3-5H,1-2H3,(H,9,10,11)/p+1
InChIKeyUDMYHTZBAAIFBS-UHFFFAOYSA-O
MW155.18 g/mol
LogP-1.34
Rot. Bonds1

About 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione

5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione (PubChem CID 58462473) has the molecular formula C7H11N2O2+ and a molecular weight of 155.18 g/mol. Its IUPAC name is 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione
PubChem CID58462473
Molecular FormulaC7H11N2O2+
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione
SMILESCC(C)C1C=[NH+]C(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-8-7(11)9-6(5)10/h3-5H,1-2H3,(H,9,10,11)/p+1
InChIKeyUDMYHTZBAAIFBS-UHFFFAOYSA-O
XLogP-1.34
TPSA60.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione?
The IUPAC name of 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione (CID 58462473) is 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione?
The canonical SMILES for 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione is CC(C)C1C=[NH+]C(=O)NC1=O.
What is the InChIKey of 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione?
The InChIKey is UDMYHTZBAAIFBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)5-3-8-7(11)9-6(5)10/h3-5H,1-2H3,(H,9,10,11)/p+1.
What are the key properties of 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione?
5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione has a molecular weight of 155.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione is sourced from PubChem (CID 58462473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).