3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione

C20H24N2O3 — CID 10783355

IUPAC3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione
SMILESCCCC(=Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)CCC
InChIInChI=1S/C20H24N2O3/c1-4-9-16(10-5-2)14-21-13-15(3)18(23)22(20(21)25)19(24)17-11-7-6-8-12-17/h6-8,11-14H,4-5,9-10H2,1-3H3
InChIKeyDJFBCQGLJPIZLR-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.45
Rot. Bonds6

About 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione

3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione (PubChem CID 10783355) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione
PubChem CID10783355
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione
SMILESCCCC(=Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)CCC
InChIInChI=1S/C20H24N2O3/c1-4-9-16(10-5-2)14-21-13-15(3)18(23)22(20(21)25)19(24)17-11-7-6-8-12-17/h6-8,11-14H,4-5,9-10H2,1-3H3
InChIKeyDJFBCQGLJPIZLR-UHFFFAOYSA-N
XLogP3.45
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione (CID 10783355) is 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione is CCCC(=Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)CCC.
What is the InChIKey of 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione?
The InChIKey is DJFBCQGLJPIZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-9-16(10-5-2)14-21-13-15(3)18(23)22(20(21)25)19(24)17-11-7-6-8-12-17/h6-8,11-14H,4-5,9-10H2,1-3H3.
What are the key properties of 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione?
3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione has a molecular weight of 340.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10783355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).