6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione

C15H18N2O3 — CID 115948134

IUPAC6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(CCC(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-10(12-6-4-3-5-7-12)8-9-17-14(19)11(2)13(18)16-15(17)20/h3-7,10,19H,8-9H2,1-2H3,(H,16,18,20)
InChIKeyXTZFTUGXAAZCSQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.74
Rot. Bonds4

About 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione (PubChem CID 115948134) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
PubChem CID115948134
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(CCC(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-10(12-6-4-3-5-7-12)8-9-17-14(19)11(2)13(18)16-15(17)20/h3-7,10,19H,8-9H2,1-2H3,(H,16,18,20)
InChIKeyXTZFTUGXAAZCSQ-UHFFFAOYSA-N
XLogP1.74
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione (CID 115948134) is 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione is Cc1c(O)n(CCC(C)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione?
The InChIKey is XTZFTUGXAAZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(12-6-4-3-5-7-12)8-9-17-14(19)11(2)13(18)16-15(17)20/h3-7,10,19H,8-9H2,1-2H3,(H,16,18,20).
What are the key properties of 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115948134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).