1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione

C12H19N3O4 — CID 59283951

IUPAC1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(C2CN(C)CC(CO)O2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4/c1-8-4-15(12(18)14(3)11(8)17)10-6-13(2)5-9(7-16)19-10/h4,9-10,16H,5-7H2,1-3H3
InChIKeyASPSXJSKNAYAQM-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.32
Rot. Bonds2

About 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione

1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione (PubChem CID 59283951) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione
PubChem CID59283951
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(C2CN(C)CC(CO)O2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4/c1-8-4-15(12(18)14(3)11(8)17)10-6-13(2)5-9(7-16)19-10/h4,9-10,16H,5-7H2,1-3H3
InChIKeyASPSXJSKNAYAQM-UHFFFAOYSA-N
XLogP-1.32
TPSA76.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-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

1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 121007446
[6-(hydroxymethyl)-4-methylmorpholin-2-yl]methanol
CID 20677770
1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 118321438
3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71088808
3-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57213361
3-(2-(18F)fluoroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 16661562
[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]phosphonic acid
CID 174389603
1-[(2R,5S)-5-(hydroxymethyl)-3-oxooxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57228598
3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 145471182
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 118334097
3-(6-(18F)fluorohexyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 24985532

Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione (CID 59283951) is 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione is Cc1cn(C2CN(C)CC(CO)O2)c(=O)n(C)c1=O.
What is the InChIKey of 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The InChIKey is ASPSXJSKNAYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8-4-15(12(18)14(3)11(8)17)10-6-13(2)5-9(7-16)19-10/h4,9-10,16H,5-7H2,1-3H3.
What are the key properties of 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 59283951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).