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

C10H16N2O2 — CID 3021746

IUPAC5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-4-5-6-8-7(2)11-10(14)12(3)9(8)13/h4-6H2,1-3H3,(H,11,14)
InChIKeyCUYNUTWZCBOQKV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.72
Rot. Bonds3

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

5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 3021746) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID3021746
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-4-5-6-8-7(2)11-10(14)12(3)9(8)13/h4-6H2,1-3H3,(H,11,14)
InChIKeyCUYNUTWZCBOQKV-UHFFFAOYSA-N
XLogP0.72
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione (CID 3021746) is 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione is CCCCc1c(C)[nH]c(=O)n(C)c1=O.
What is the InChIKey of 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is CUYNUTWZCBOQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-6-8-7(2)11-10(14)12(3)9(8)13/h4-6H2,1-3H3,(H,11,14).
What are the key properties of 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).