1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C13H23N4O5PS — CID 155467716

IUPAC1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCSP(=O)(OC[C@@H]1CNC[C@H](n2cc(C)c(=O)[nH]c2=O)O1)N(C)C
InChIInChI=1S/C13H23N4O5PS/c1-9-7-17(13(19)15-12(9)18)11-6-14-5-10(22-11)8-21-23(20,24-4)16(2)3/h7,10-11,14H,5-6,8H2,1-4H3,(H,15,18,19)/t10-,11+,23?/m0/s1
InChIKeyMBGWKHQFVGHLFO-FWJOCJDASA-N
MW378.39 g/mol
LogP0.38
Rot. Bonds6

About 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 155467716) has the molecular formula C13H23N4O5PS and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID155467716
Molecular FormulaC13H23N4O5PS
Molecular Weight378.39 g/mol
Exact Mass378.11
IUPAC Name1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCSP(=O)(OC[C@@H]1CNC[C@H](n2cc(C)c(=O)[nH]c2=O)O1)N(C)C
InChIInChI=1S/C13H23N4O5PS/c1-9-7-17(13(19)15-12(9)18)11-6-14-5-10(22-11)8-21-23(20,24-4)16(2)3/h7,10-11,14H,5-6,8H2,1-4H3,(H,15,18,19)/t10-,11+,23?/m0/s1
InChIKeyMBGWKHQFVGHLFO-FWJOCJDASA-N
XLogP0.38
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[6-[[chloro(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 123489749
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570
4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid
CID 175801362
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 4319719
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methyl 4-(dioctadecylamino)-4-oxobutanoate
CID 157287469
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
1-[(2R,5S)-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 164835448

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 155467716) is 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is CSP(=O)(OC[C@@H]1CNC[C@H](n2cc(C)c(=O)[nH]c2=O)O1)N(C)C.
What is the InChIKey of 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is MBGWKHQFVGHLFO-FWJOCJDASA-N. The full InChI is InChI=1S/C13H23N4O5PS/c1-9-7-17(13(19)15-12(9)18)11-6-14-5-10(22-11)8-21-23(20,24-4)16(2)3/h7,10-11,14H,5-6,8H2,1-4H3,(H,15,18,19)/t10-,11+,23?/m0/s1.
What are the key properties of 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 378.39 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 155467716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).