5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

C10H11N2O5P — CID 134564739

IUPAC5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2C=C[C@@H](COP=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N2O5P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18-15/h2-4,7-8H,5H2,1H3,(H,11,13,14)/t7-,8+/m0/s1
InChIKeyNSKFGXPMQQWKBV-JGVFFNPUSA-N
MW270.18 g/mol
LogP0.52
Rot. Bonds4

About 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 134564739) has the molecular formula C10H11N2O5P and a molecular weight of 270.18 g/mol. Its IUPAC name is 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
PubChem CID134564739
Molecular FormulaC10H11N2O5P
Molecular Weight270.18 g/mol
Exact Mass270.04
IUPAC Name5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2C=C[C@@H](COP=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N2O5P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18-15/h2-4,7-8H,5H2,1H3,(H,11,13,14)/t7-,8+/m0/s1
InChIKeyNSKFGXPMQQWKBV-JGVFFNPUSA-N
XLogP0.52
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

[(2S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
CID 169257154
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
CID 14428320
[(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
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
5-methyl-1-[(5S)-5-(phenylmethoxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 139721718
[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
CID 170224308
5-methyl-1-[(2R,5R)-5-(2-phosphanylethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 45113936
[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-propan-2-yloxyphosphoryl] [(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl propan-2-yl phosphate
CID 164685932
tert-butyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
CID 101208050
12-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-12-oxododecanoic acid
CID 86579901
[(2R,3S,6S)-3-acetyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11953552

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 134564739) is 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is Cc1cn([C@H]2C=C[C@@H](COP=O)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The InChIKey is NSKFGXPMQQWKBV-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H11N2O5P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18-15/h2-4,7-8H,5H2,1H3,(H,11,13,14)/t7-,8+/m0/s1.
What are the key properties of 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 270.18 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2R,5S)-5-(phosphorosooxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 134564739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).