1-butylpyrimidine-2,4-dione;methanol;palladium

C9H15N2O3Pd- — CID 178051996

IUPAC1-butylpyrimidine-2,4-dione;methanol;palladium
SMILESCO.[CH2-]CCCn1ccc(=O)[nH]c1=O.[Pd]
InChIInChI=1S/C8H11N2O2.CH4O.Pd/c1-2-3-5-10-6-4-7(11)9-8(10)12;1-2;/h4,6H,1-3,5H2,(H,9,11,12);2H,1H3;/q-1;;
InChIKeyNGSVWIIDKUVZBO-UHFFFAOYSA-N
MW305.65 g/mol
LogP-0.24
Rot. Bonds3

About 1-butylpyrimidine-2,4-dione;methanol;palladium

1-butylpyrimidine-2,4-dione;methanol;palladium (PubChem CID 178051996) has the molecular formula C9H15N2O3Pd- and a molecular weight of 305.65 g/mol. Its IUPAC name is 1-butylpyrimidine-2,4-dione;methanol;palladium.

Molecular Properties

Compound Name1-butylpyrimidine-2,4-dione;methanol;palladium
PubChem CID178051996
Molecular FormulaC9H15N2O3Pd-
Molecular Weight305.65 g/mol
Exact Mass305.01
IUPAC Name1-butylpyrimidine-2,4-dione;methanol;palladium
SMILESCO.[CH2-]CCCn1ccc(=O)[nH]c1=O.[Pd]
InChIInChI=1S/C8H11N2O2.CH4O.Pd/c1-2-3-5-10-6-4-7(11)9-8(10)12;1-2;/h4,6H,1-3,5H2,(H,9,11,12);2H,1H3;/q-1;;
InChIKeyNGSVWIIDKUVZBO-UHFFFAOYSA-N
XLogP-0.24
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
CID 169034530
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione
CID 10541882
5-(2,4-dioxopyrimidin-1-yl)pentyl-[5-(2,4-dioxopyrimidin-1-yl)pentyl-hydroxyphosphoryl]oxyphosphinic acid
CID 91326769
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 170124459
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrimidine-2,4-dione;methanol;palladium?
The IUPAC name of 1-butylpyrimidine-2,4-dione;methanol;palladium (CID 178051996) is 1-butylpyrimidine-2,4-dione;methanol;palladium.
What is the SMILES notation for 1-butylpyrimidine-2,4-dione;methanol;palladium?
The canonical SMILES for 1-butylpyrimidine-2,4-dione;methanol;palladium is CO.[CH2-]CCCn1ccc(=O)[nH]c1=O.[Pd].
What is the InChIKey of 1-butylpyrimidine-2,4-dione;methanol;palladium?
The InChIKey is NGSVWIIDKUVZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O2.CH4O.Pd/c1-2-3-5-10-6-4-7(11)9-8(10)12;1-2;/h4,6H,1-3,5H2,(H,9,11,12);2H,1H3;/q-1;;.
What are the key properties of 1-butylpyrimidine-2,4-dione;methanol;palladium?
1-butylpyrimidine-2,4-dione;methanol;palladium has a molecular weight of 305.65 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrimidine-2,4-dione;methanol;palladium is sourced from PubChem (CID 178051996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).