dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium

C14H25N3O5P+ — CID 166821516

IUPACdimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium
SMILESCC[C@@H](CO[P+](=O)N(C)C)O[C@H](CC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N3O5P/c1-6-11(9-21-23(20)16(4)5)22-12(7-2)17-8-10(3)13(18)15-14(17)19/h8,11-12H,6-7,9H2,1-5H3/p+1/t11-,12+/m0/s1
InChIKeyAXKMQMVAYBIERU-NWDGAFQWSA-O
MW346.34 g/mol
LogP1.78
Rot. Bonds9

About dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium

dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium (PubChem CID 166821516) has the molecular formula C14H25N3O5P+ and a molecular weight of 346.34 g/mol. Its IUPAC name is dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium
PubChem CID166821516
Molecular FormulaC14H25N3O5P+
Molecular Weight346.34 g/mol
Exact Mass346.15
IUPAC Namedimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium
SMILESCC[C@@H](CO[P+](=O)N(C)C)O[C@H](CC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N3O5P/c1-6-11(9-21-23(20)16(4)5)22-12(7-2)17-8-10(3)13(18)15-14(17)19/h8,11-12H,6-7,9H2,1-5H3/p+1/t11-,12+/m0/s1
InChIKeyAXKMQMVAYBIERU-NWDGAFQWSA-O
XLogP1.78
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 6331237
CID 6331237
propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 11543758
5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione
CID 121459566
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260
1-[(1R)-1-[(3R)-1-hydroxy-3-(methylamino)butan-2-yl]oxyethyl]-5-methylpyrimidine-2,4-dione
CID 174006559
1-[1-[(2S)-1,4-dihydroxy-3,3-dimethylbutan-2-yl]oxyethyl]-5-methylpyrimidine-2,4-dione
CID 70899020
5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione
CID 15060444
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
ethyl N-[2,2,2-trichloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]carbamate
CID 3093675
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409

Frequently Asked Questions

What is the IUPAC name of dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium (CID 166821516) is dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium is CC[C@@H](CO[P+](=O)N(C)C)O[C@H](CC)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium?
The InChIKey is AXKMQMVAYBIERU-NWDGAFQWSA-O. The full InChI is InChI=1S/C14H24N3O5P/c1-6-11(9-21-23(20)16(4)5)22-12(7-2)17-8-10(3)13(18)15-14(17)19/h8,11-12H,6-7,9H2,1-5H3/p+1/t11-,12+/m0/s1.
What are the key properties of dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium?
dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium has a molecular weight of 346.34 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[(2S)-2-[(1R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]butoxy]-oxophosphanium is sourced from PubChem (CID 166821516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).