6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione

C13H14N2O2 — CID 67265851

IUPAC6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,17)
InChIKeyBJCJKKURWJMNBN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds2

About 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione

6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 67265851) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID67265851
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,17)
InChIKeyBJCJKKURWJMNBN-UHFFFAOYSA-N
XLogP1.78
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 67265851) is 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is BJCJKKURWJMNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,17).
What are the key properties of 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67265851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).