1-butyl-5-ethylpyrimidine-2,4-dione

C10H16N2O2 — CID 18671032

IUPAC1-butyl-5-ethylpyrimidine-2,4-dione
SMILESCCCCn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-6-12-7-8(4-2)9(13)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyQBDHGBBKUULWIY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds4

About 1-butyl-5-ethylpyrimidine-2,4-dione

1-butyl-5-ethylpyrimidine-2,4-dione (PubChem CID 18671032) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-butyl-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-ethylpyrimidine-2,4-dione
PubChem CID18671032
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-butyl-5-ethylpyrimidine-2,4-dione
SMILESCCCCn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-6-12-7-8(4-2)9(13)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyQBDHGBBKUULWIY-UHFFFAOYSA-N
XLogP0.90
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-ethylpyrimidine-2,4-dione (CID 18671032) is 1-butyl-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-ethylpyrimidine-2,4-dione is CCCCn1cc(CC)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-ethylpyrimidine-2,4-dione?
The InChIKey is QBDHGBBKUULWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-6-12-7-8(4-2)9(13)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,13,14).
What are the key properties of 1-butyl-5-ethylpyrimidine-2,4-dione?
1-butyl-5-ethylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 18671032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).