1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione

C14H20N2O4 — CID 638926

IUPAC1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC3(COC(C)(C)OC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-9-6-16(12(18)15-11(9)17)10-4-14(5-10)7-19-13(2,3)20-8-14/h6,10H,4-5,7-8H2,1-3H3,(H,15,17,18)
InChIKeyAMFFKRNBCUSTLL-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.95
Rot. Bonds1

About 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione

1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione (PubChem CID 638926) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione
PubChem CID638926
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC3(COC(C)(C)OC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-9-6-16(12(18)15-11(9)17)10-4-14(5-10)7-19-13(2,3)20-8-14/h6,10H,4-5,7-8H2,1-3H3,(H,15,17,18)
InChIKeyAMFFKRNBCUSTLL-UHFFFAOYSA-N
XLogP0.95
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione (CID 638926) is 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione is Cc1cn(C2CC3(COC(C)(C)OC3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione?
The InChIKey is AMFFKRNBCUSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-6-16(12(18)15-11(9)17)10-4-14(5-10)7-19-13(2,3)20-8-14/h6,10H,4-5,7-8H2,1-3H3,(H,15,17,18).
What are the key properties of 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione?
1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione has a molecular weight of 280.32 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 638926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).