5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione

C12H20N2O3 — CID 170005200

IUPAC5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione
SMILESCCCCC(C)(CC)n1cc(O)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3/c1-4-6-7-12(3,5-2)14-8-9(15)10(16)13-11(14)17/h8,15H,4-7H2,1-3H3,(H,13,16,17)
InChIKeyICDVTKFTALXXDJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.56
Rot. Bonds5

About 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione

5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione (PubChem CID 170005200) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione
PubChem CID170005200
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione
SMILESCCCCC(C)(CC)n1cc(O)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3/c1-4-6-7-12(3,5-2)14-8-9(15)10(16)13-11(14)17/h8,15H,4-7H2,1-3H3,(H,13,16,17)
InChIKeyICDVTKFTALXXDJ-UHFFFAOYSA-N
XLogP1.56
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-1-(3-methylheptan-3-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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione (CID 170005200) is 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione is CCCCC(C)(CC)n1cc(O)c(=O)[nH]c1=O.
What is the InChIKey of 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
The InChIKey is ICDVTKFTALXXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-6-7-12(3,5-2)14-8-9(15)10(16)13-11(14)17/h8,15H,4-7H2,1-3H3,(H,13,16,17).
What are the key properties of 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(3-methylheptan-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 170005200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).