1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C14H22ClN4O6P — CID 123489749

IUPAC1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNCC(COP(=O)(Cl)N3CCOCC3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22ClN4O6P/c1-10-8-19(14(21)17-13(10)20)12-7-16-6-11(25-12)9-24-26(15,22)18-2-4-23-5-3-18/h8,11-12,16H,2-7,9H2,1H3,(H,17,20,21)
InChIKeyXGBLSWRYUSSPMY-UHFFFAOYSA-N
MW408.78 g/mol
LogP0.03
Rot. Bonds5

About 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 123489749) has the molecular formula C14H22ClN4O6P and a molecular weight of 408.78 g/mol. Its IUPAC name is 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID123489749
Molecular FormulaC14H22ClN4O6P
Molecular Weight408.78 g/mol
Exact Mass408.10
IUPAC Name1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNCC(COP(=O)(Cl)N3CCOCC3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22ClN4O6P/c1-10-8-19(14(21)17-13(10)20)12-7-16-6-11(25-12)9-24-26(15,22)18-2-4-23-5-3-18/h8,11-12,16H,2-7,9H2,1H3,(H,17,20,21)
InChIKeyXGBLSWRYUSSPMY-UHFFFAOYSA-N
XLogP0.03
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.78
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 155467716
1-[(2R)-6-[[chloro-(4-morpholin-4-ylpiperidin-1-yl)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 166686307
5-methyl-1-[(6S)-4-methyl-6-[[methyl(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]pyrimidine-2,4-dione
CID 140884152
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
CID 11223048
1-[(2R)-6-[[(4-aminopiperidin-1-yl)-chlorophosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 126677319
1-[6-[[chloro-(4-propan-2-ylpiperazin-1-yl)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 126679137
4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid
CID 175801362
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 4319719
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
1-[6-[[chloro-[4-(1-fluoropiperidin-4-yl)piperazin-1-yl]phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 145269832
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 123489749) is 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CNCC(COP(=O)(Cl)N3CCOCC3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is XGBLSWRYUSSPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN4O6P/c1-10-8-19(14(21)17-13(10)20)12-7-16-6-11(25-12)9-24-26(15,22)18-2-4-23-5-3-18/h8,11-12,16H,2-7,9H2,1H3,(H,17,20,21).
What are the key properties of 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 408.78 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 123489749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).