5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium

C14H24N6O6 — CID 139175817

IUPAC5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium
SMILESC[NH3+].C[NH3+].Cn1c([O-])c(-c2c([O-])n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O6.2CH5N/c1-13-7(17)5(8(18)14(2)11(13)21)6-9(19)15(3)12(22)16(4)10(6)20;2*1-2/h17,19H,1-4H3;2*2H2,1H3
InChIKeyCIRJRFHNKURTPX-UHFFFAOYSA-N
MW372.38 g/mol
LogP-5.99
Rot. Bonds1

About 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium

5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium (PubChem CID 139175817) has the molecular formula C14H24N6O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium.

Molecular Properties

Compound Name5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium
PubChem CID139175817
Molecular FormulaC14H24N6O6
Molecular Weight372.38 g/mol
Exact Mass372.18
IUPAC Name5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium
SMILESC[NH3+].C[NH3+].Cn1c([O-])c(-c2c([O-])n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O6.2CH5N/c1-13-7(17)5(8(18)14(2)11(13)21)6-9(19)15(3)12(22)16(4)10(6)20;2*1-2/h17,19H,1-4H3;2*2H2,1H3
InChIKeyCIRJRFHNKURTPX-UHFFFAOYSA-N
XLogP-5.99
TPSA189.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 5-5.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
CID 68874576
5-diazonio-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 3941557
5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 58825576
5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 134118669
1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione
CID 576581
1-methylaziridine-2,3-dione;hydrochloride
CID 172854973
6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione
CID 25469654
8-iodo-1,3-dimethyl-2-oxopurin-6-olate
CID 118985551
6-amino-5-(2-aminopropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 170890934
1,3-dimethyl-2,6-dioxo-5-spiro[6H-phenanthridin-5-ium-5,1'-azolidin-1-ium]-6-ylpyrimidin-4-olate
CID 25172718
1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-ylpurin-6-olate
CID 787600
6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 39100598

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium?
The IUPAC name of 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium (CID 139175817) is 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium.
What is the SMILES notation for 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium?
The canonical SMILES for 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium is C[NH3+].C[NH3+].Cn1c([O-])c(-c2c([O-])n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O.
What is the InChIKey of 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium?
The InChIKey is CIRJRFHNKURTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O6.2CH5N/c1-13-7(17)5(8(18)14(2)11(13)21)6-9(19)15(3)12(22)16(4)10(6)20;2*1-2/h17,19H,1-4H3;2*2H2,1H3.
What are the key properties of 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium?
5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium has a molecular weight of 372.38 g/mol, XLogP of -5.99, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-4-oxido-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate;methylazanium is sourced from PubChem (CID 139175817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).