[3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium

C13H18N4O6V — CID 59899981

IUPAC[3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium
SMILESCNC(=O)COC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CN=[V]=O
InChIInChI=1S/C13H18N4O5.O.V/c1-7-5-17(13(20)16-12(7)19)11-3-8(9(4-14)22-11)21-6-10(18)15-2;;/h5,8-9,11H,3-4,6H2,1-2H3,(H,15,18)(H,16,19,20);;
InChIKeyLCTYLOINRRMWPZ-UHFFFAOYSA-N
MW377.25 g/mol
LogP-1.12
Rot. Bonds6

About [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium

[3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium (PubChem CID 59899981) has the molecular formula C13H18N4O6V and a molecular weight of 377.25 g/mol. Its IUPAC name is [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium.

Molecular Properties

Compound Name[3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium
PubChem CID59899981
Molecular FormulaC13H18N4O6V
Molecular Weight377.25 g/mol
Exact Mass377.07
IUPAC Name[3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium
SMILESCNC(=O)COC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CN=[V]=O
InChIInChI=1S/C13H18N4O5.O.V/c1-7-5-17(13(20)16-12(7)19)11-3-8(9(4-14)22-11)21-6-10(18)15-2;;/h5,8-9,11H,3-4,6H2,1-2H3,(H,15,18)(H,16,19,20);;
InChIKeyLCTYLOINRRMWPZ-UHFFFAOYSA-N
XLogP-1.12
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175775727
1-[(2R,4S,5R)-4-(ethylsulfanylmethoxy)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 167320681
[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 26236818
1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100978051
hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium
CID 102099322
1-[(2R,5R)-5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 58059985
[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
CID 5463
methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 11369613
1-[(2R,4R,5S)-5-(hydroxymethyl)-4-(methoxyamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 500209
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 170393529

Frequently Asked Questions

What is the IUPAC name of [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium?
The IUPAC name of [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium (CID 59899981) is [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium.
What is the SMILES notation for [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium?
The canonical SMILES for [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium is CNC(=O)COC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CN=[V]=O.
What is the InChIKey of [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium?
The InChIKey is LCTYLOINRRMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5.O.V/c1-7-5-17(13(20)16-12(7)19)11-3-8(9(4-14)22-11)21-6-10(18)15-2;;/h5,8-9,11H,3-4,6H2,1-2H3,(H,15,18)(H,16,19,20);;.
What are the key properties of [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium?
[3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium has a molecular weight of 377.25 g/mol, XLogP of -1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium is sourced from PubChem (CID 59899981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).