dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione

C9H13Li2N2O6P — CID 11659294

IUPACdilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione
SMILESCc1cn(C[C@@H](C)OCP(=O)([O-])[O-])c(=O)[nH]c1=O.[Li+].[Li+]
InChIInChI=1S/C9H15N2O6P.2Li/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16;;/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16);;/q;2*+1/p-2/t7-;;/m1../s1
InChIKeyCJSPSWDMTIJLNE-XCUBXKJBSA-L
MW290.07 g/mol
LogP-7.87
Rot. Bonds5

About dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione

dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione (PubChem CID 11659294) has the molecular formula C9H13Li2N2O6P and a molecular weight of 290.07 g/mol. Its IUPAC name is dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Namedilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione
PubChem CID11659294
Molecular FormulaC9H13Li2N2O6P
Molecular Weight290.07 g/mol
Exact Mass290.08
IUPAC Namedilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione
SMILESCc1cn(C[C@@H](C)OCP(=O)([O-])[O-])c(=O)[nH]c1=O.[Li+].[Li+]
InChIInChI=1S/C9H15N2O6P.2Li/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16;;/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16);;/q;2*+1/p-2/t7-;;/m1../s1
InChIKeyCJSPSWDMTIJLNE-XCUBXKJBSA-L
XLogP-7.87
TPSA127.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 5-7.87
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-[(4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylpentyl]-5-methylpyrimidine-2,4-dione
CID 89386976
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7289782
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260
5-methyl-1-[(2S)-2,4,4-trimethylpentyl]pyrimidine-2,4-dione
CID 170680091
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
CID 23628543
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione;methylsulfinylmethane;dihydrate
CID 139190226
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 101070065
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
CID 69344214
cyanomethyl 2-amino-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate;hydrochloride
CID 154977941
1-[4-diethoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]-5-methylpyrimidine-2,4-dione
CID 173363380

Frequently Asked Questions

What is the IUPAC name of dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione?
The IUPAC name of dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione (CID 11659294) is dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione?
The canonical SMILES for dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione is Cc1cn(C[C@@H](C)OCP(=O)([O-])[O-])c(=O)[nH]c1=O.[Li+].[Li+].
What is the InChIKey of dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione?
The InChIKey is CJSPSWDMTIJLNE-XCUBXKJBSA-L. The full InChI is InChI=1S/C9H15N2O6P.2Li/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16;;/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16);;/q;2*+1/p-2/t7-;;/m1../s1.
What are the key properties of dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione?
dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione has a molecular weight of 290.07 g/mol, XLogP of -7.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11659294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).