6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione

C9H13N3O4 — CID 123552336

IUPAC6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC=C(NOC)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O4/c1-5(10-16-4)6-7(13)11(2)9(15)12(3)8(6)14/h10,13H,1H2,2-4H3
InChIKeyRLHBFTLNKZVFAY-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.09
Rot. Bonds3

About 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 123552336) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID123552336
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC=C(NOC)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O4/c1-5(10-16-4)6-7(13)11(2)9(15)12(3)8(6)14/h10,13H,1H2,2-4H3
InChIKeyRLHBFTLNKZVFAY-UHFFFAOYSA-N
XLogP-1.09
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea
CID 136623139
4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide
CID 136717307
6-hydroxy-5-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135570253
methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 136719203
4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 54316310
5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 4565012
6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
CID 135777862
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione
CID 139088331
6-hydroxy-1,3-dimethyl-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 4269333
6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
CID 11557464
5-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 1402593

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione (CID 123552336) is 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione is C=C(NOC)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RLHBFTLNKZVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(10-16-4)6-7(13)11(2)9(15)12(3)8(6)14/h10,13H,1H2,2-4H3.
What are the key properties of 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 227.22 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 123552336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).