3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione

C9H12N2O2 — CID 69179314

IUPAC3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C2CCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-6-5-8(12)11(9(13)10-6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,13)
InChIKeyQFKNUYPFPUAGRO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.57
Rot. Bonds1

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

3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 69179314) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID69179314
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C2CCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-6-5-8(12)11(9(13)10-6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,13)
InChIKeyQFKNUYPFPUAGRO-UHFFFAOYSA-N
XLogP0.57
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione (CID 69179314) is 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(C2CCC2)c(=O)[nH]1.
What is the InChIKey of 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is QFKNUYPFPUAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-5-8(12)11(9(13)10-6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,13).
What are the key properties of 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione?
3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 69179314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).