6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione

C13H21N5O3 — CID 135777862

IUPAC6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\N1CCN(C)CC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N5O3/c1-9(14-18-7-5-15(2)6-8-18)10-11(19)16(3)13(21)17(4)12(10)20/h19H,5-8H2,1-4H3/b14-9+
InChIKeyXIODDZJKAGPOCI-NTEUORMPSA-N
MW295.34 g/mol
LogP-1.24
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 135777862) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID135777862
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\N1CCN(C)CC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N5O3/c1-9(14-18-7-5-15(2)6-8-18)10-11(19)16(3)13(21)17(4)12(10)20/h19H,5-8H2,1-4H3/b14-9+
InChIKeyXIODDZJKAGPOCI-NTEUORMPSA-N
XLogP-1.24
TPSA83.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-1,3-dimethyl-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 4269333
[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea
CID 136623139
6-hydroxy-1,3-dimethyl-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 136897085
6-hydroxy-5-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135570253
5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 4565012
5-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 1402593
5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 3796868
N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 135548606
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135956356
4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide
CID 136717307
2-(4-methoxyphenyl)-5-methyl-4-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrazol-3-one
CID 135727540
methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 136719203

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione (CID 135777862) is 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione is C/C(=N\N1CCN(C)CC1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is XIODDZJKAGPOCI-NTEUORMPSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(14-18-7-5-15(2)6-8-18)10-11(19)16(3)13(21)17(4)12(10)20/h19H,5-8H2,1-4H3/b14-9+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135777862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).