1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C16H27N2O6P — CID 88880803

IUPAC1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCOP(=O)(C[C@H](C)[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1)OCC
InChIInChI=1S/C16H27N2O6P/c1-5-22-25(21,23-6-2)10-12(4)13-7-8-14(24-13)18-9-11(3)15(19)17-16(18)20/h9,12-14H,5-8,10H2,1-4H3,(H,17,19,20)/t12-,13-,14+/m0/s1
InChIKeyHCJUFKUGXFQGPJ-MELADBBJSA-N
MW374.37 g/mol
LogP2.42
Rot. Bonds8

About 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 88880803) has the molecular formula C16H27N2O6P and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID88880803
Molecular FormulaC16H27N2O6P
Molecular Weight374.37 g/mol
Exact Mass374.16
IUPAC Name1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCOP(=O)(C[C@H](C)[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1)OCC
InChIInChI=1S/C16H27N2O6P/c1-5-22-25(21,23-6-2)10-12(4)13-7-8-14(24-13)18-9-11(3)15(19)17-16(18)20/h9,12-14H,5-8,10H2,1-4H3,(H,17,19,20)/t12-,13-,14+/m0/s1
InChIKeyHCJUFKUGXFQGPJ-MELADBBJSA-N
XLogP2.42
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5R)-5-[(2S)-1-diethoxyphosphorylpropan-2-yl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 162358254
1-[(4R,5S)-5-(diethoxyphosphorylmethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90704057
[(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
1-[(2R,4R,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3009330
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
butyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 172568202
1-[(2R,5S)-5-[[[hydroxy(phenyl)methyl]-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10371444
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 88880803) is 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is CCOP(=O)(C[C@H](C)[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1)OCC.
What is the InChIKey of 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HCJUFKUGXFQGPJ-MELADBBJSA-N. The full InChI is InChI=1S/C16H27N2O6P/c1-5-22-25(21,23-6-2)10-12(4)13-7-8-14(24-13)18-9-11(3)15(19)17-16(18)20/h9,12-14H,5-8,10H2,1-4H3,(H,17,19,20)/t12-,13-,14+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 374.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 88880803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).