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

C11H18N2O2 — CID 3021772

IUPAC5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c(=O)n(CC)c1=O
InChIInChI=1S/C11H18N2O2/c1-4-6-7-9-8(3)12-11(15)13(5-2)10(9)14/h4-7H2,1-3H3,(H,12,15)
InChIKeySTIRJGHZAQEXHK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.21
Rot. Bonds4

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

5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 3021772) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID3021772
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c(=O)n(CC)c1=O
InChIInChI=1S/C11H18N2O2/c1-4-6-7-9-8(3)12-11(15)13(5-2)10(9)14/h4-7H2,1-3H3,(H,12,15)
InChIKeySTIRJGHZAQEXHK-UHFFFAOYSA-N
XLogP1.21
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione (CID 3021772) is 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione is CCCCc1c(C)[nH]c(=O)n(CC)c1=O.
What is the InChIKey of 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is STIRJGHZAQEXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-6-7-9-8(3)12-11(15)13(5-2)10(9)14/h4-7H2,1-3H3,(H,12,15).
What are the key properties of 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).