6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione

C9H12N2O3 — CID 11557464

IUPAC6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-4-5-6-7(12)10(2)9(14)11(3)8(6)13/h4,12H,1,5H2,2-3H3
InChIKeyWWVRHXMSOBXSIF-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.48
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione (PubChem CID 11557464) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
PubChem CID11557464
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-4-5-6-7(12)10(2)9(14)11(3)8(6)13/h4,12H,1,5H2,2-3H3
InChIKeyWWVRHXMSOBXSIF-UHFFFAOYSA-N
XLogP-0.48
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium
CID 6936722
1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione
CID 67166704
6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888720
1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
CID 66697344
5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 4153777
2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol
CID 11437162
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715
1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde
CID 86658689
6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione
CID 101179925
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4623736
2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]butanedioic acid
CID 2905941
6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
CID 123552336

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione (CID 11557464) is 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione is C=CCc1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is WWVRHXMSOBXSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-5-6-7(12)10(2)9(14)11(3)8(6)13/h4,12H,1,5H2,2-3H3.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 11557464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).