1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione

C16H20N2O3 — CID 115947840

IUPAC1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
SMILESCCCC(CC)n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-3-8-12(4-2)18-15(20)13(14(19)17-16(18)21)11-9-6-5-7-10-11/h5-7,9-10,12,20H,3-4,8H2,1-2H3,(H,17,19,21)
InChIKeyNKDTUPKLXSPUSF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.66
Rot. Bonds5

About 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione

1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione (PubChem CID 115947840) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
PubChem CID115947840
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
SMILESCCCC(CC)n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-3-8-12(4-2)18-15(20)13(14(19)17-16(18)21)11-9-6-5-7-10-11/h5-7,9-10,12,20H,3-4,8H2,1-2H3,(H,17,19,21)
InChIKeyNKDTUPKLXSPUSF-UHFFFAOYSA-N
XLogP2.66
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962
6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
CID 115946369
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
1-hexan-3-yl-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541446
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
3-(2-oxo-3H-benzimidazol-1-yl)hexanoic acid
CID 70277464
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947359
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
CID 115948498
1-hexan-3-yl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875245

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione (CID 115947840) is 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione is CCCC(CC)n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The InChIKey is NKDTUPKLXSPUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-8-12(4-2)18-15(20)13(14(19)17-16(18)21)11-9-6-5-7-10-11/h5-7,9-10,12,20H,3-4,8H2,1-2H3,(H,17,19,21).
What are the key properties of 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione?
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115947840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).