1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

C12H17N2O7P — CID 14861968

IUPAC1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOP(=O)(CO[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)OC
InChIInChI=1S/C12H17N2O7P/c1-8-6-14(12(16)13-11(8)15)9-4-5-10(21-9)20-7-22(17,18-2)19-3/h4-6,9-10H,7H2,1-3H3,(H,13,15,16)/t9-,10+/m1/s1
InChIKeyOSXIQTQMSKWLOZ-ZJUUUORDSA-N
MW332.25 g/mol
LogP0.72
Rot. Bonds6

About 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 14861968) has the molecular formula C12H17N2O7P and a molecular weight of 332.25 g/mol. Its IUPAC name is 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID14861968
Molecular FormulaC12H17N2O7P
Molecular Weight332.25 g/mol
Exact Mass332.08
IUPAC Name1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOP(=O)(CO[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)OC
InChIInChI=1S/C12H17N2O7P/c1-8-6-14(12(16)13-11(8)15)9-4-5-10(21-9)20-7-22(17,18-2)19-3/h4-6,9-10H,7H2,1-3H3,(H,13,15,16)/t9-,10+/m1/s1
InChIKeyOSXIQTQMSKWLOZ-ZJUUUORDSA-N
XLogP0.72
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetylene;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonous acid
CID 171628930
1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione
CID 18939369
1-[(2R,5R)-5-(diphenoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-iodopyrimidine-2,4-dione
CID 178018407
[(2S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
CID 169257154
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
CID 10255754
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
CID 14428320
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
[(2S,3R,6R)-2-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 14058078
tert-butyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
CID 101208050
5-methyl-1-[(2R,5R)-5-(2-phosphanylethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 45113936
[2-[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]-1,3-diphenylpropan-2-yl] dihydrogen phosphate
CID 57366885

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (CID 14861968) is 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is COP(=O)(CO[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)OC.
What is the InChIKey of 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is OSXIQTQMSKWLOZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H17N2O7P/c1-8-6-14(12(16)13-11(8)15)9-4-5-10(21-9)20-7-22(17,18-2)19-3/h4-6,9-10H,7H2,1-3H3,(H,13,15,16)/t9-,10+/m1/s1.
What are the key properties of 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 332.25 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14861968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).