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

C11H18N2O3 — CID 112600179

IUPAC6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione
SMILESCCC(C)C(C)n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-5-6(2)8(4)13-10(15)7(3)9(14)12-11(13)16/h6,8,15H,5H2,1-4H3,(H,12,14,16)
InChIKeySKLGVLXJOBCHAL-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.16
Rot. Bonds3

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

6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione (PubChem CID 112600179) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione
PubChem CID112600179
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione
SMILESCCC(C)C(C)n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-5-6(2)8(4)13-10(15)7(3)9(14)12-11(13)16/h6,8,15H,5H2,1-4H3,(H,12,14,16)
InChIKeySKLGVLXJOBCHAL-UHFFFAOYSA-N
XLogP1.16
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
CID 112598984
1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600523
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599751
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione
CID 123311990
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione (CID 112600179) is 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione is CCC(C)C(C)n1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione?
The InChIKey is SKLGVLXJOBCHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-6(2)8(4)13-10(15)7(3)9(14)12-11(13)16/h6,8,15H,5H2,1-4H3,(H,12,14,16).
What are the key properties of 6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 1.16, 3 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-methylpentan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).