6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione

C12H18N2O3 — CID 114155514

IUPAC6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)=CCn1c(O)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-7(2)5-6-14-11(16)9(8(3)4)10(15)13-12(14)17/h5,8,16H,6H2,1-4H3,(H,13,15,17)
InChIKeyGPBBREMAJRPPJY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.33
Rot. Bonds3

About 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione

6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 114155514) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID114155514
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)=CCn1c(O)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-7(2)5-6-14-11(16)9(8(3)4)10(15)13-12(14)17/h5,8,16H,6H2,1-4H3,(H,13,15,17)
InChIKeyGPBBREMAJRPPJY-UHFFFAOYSA-N
XLogP1.33
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-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-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 113494336
6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006139
6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 106422345
5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 106185818
3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
CID 106098930
6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-prop-2-enylpyrimidine-2,4-dione
CID 22256580
1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
CID 107851480
5-bromo-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 63779091
6-(3,5-dimethylphenyl)sulfanyl-1-(hydroxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 101098996
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
6-(3,5-dimethylbenzoyl)-1-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203503
7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004248

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 114155514) is 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione is CC(C)=CCn1c(O)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is GPBBREMAJRPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)5-6-14-11(16)9(8(3)4)10(15)13-12(14)17/h5,8,16H,6H2,1-4H3,(H,13,15,17).
What are the key properties of 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 114155514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).