3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione

C9H14N2O2 — CID 58730540

IUPAC3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)n(CC)c(=O)c1C
InChIInChI=1S/C9H14N2O2/c1-4-7-6(3)8(12)11(5-2)9(13)10-7/h4-5H2,1-3H3,(H,10,13)
InChIKeyIWMBHVHLJJIZLP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.43
Rot. Bonds2

About 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione

3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 58730540) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID58730540
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)n(CC)c(=O)c1C
InChIInChI=1S/C9H14N2O2/c1-4-7-6(3)8(12)11(5-2)9(13)10-7/h4-5H2,1-3H3,(H,10,13)
InChIKeyIWMBHVHLJJIZLP-UHFFFAOYSA-N
XLogP0.43
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione (CID 58730540) is 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione is CCc1[nH]c(=O)n(CC)c(=O)c1C.
What is the InChIKey of 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is IWMBHVHLJJIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-7-6(3)8(12)11(5-2)9(13)10-7/h4-5H2,1-3H3,(H,10,13).
What are the key properties of 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione?
3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58730540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).