(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate

C5H5N3O5 — CID 142715788

IUPAC(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate
SMILESCc1cn(O[N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C5H5N3O5/c1-3-2-7(13-8(11)12)5(10)6-4(3)9/h2H,1H3,(H,6,9,10)
InChIKeyDDWRSVJQMIHTIU-UHFFFAOYSA-N
MW187.11 g/mol
LogP-1.53
Rot. Bonds2

About (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate

(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate (PubChem CID 142715788) has the molecular formula C5H5N3O5 and a molecular weight of 187.11 g/mol. Its IUPAC name is (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate.

Molecular Properties

Compound Name(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate
PubChem CID142715788
Molecular FormulaC5H5N3O5
Molecular Weight187.11 g/mol
Exact Mass187.02
IUPAC Name(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate
SMILESCc1cn(O[N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C5H5N3O5/c1-3-2-7(13-8(11)12)5(10)6-4(3)9/h2H,1H3,(H,6,9,10)
InChIKeyDDWRSVJQMIHTIU-UHFFFAOYSA-N
XLogP-1.53
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
CID 139627493
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] nitrate
CID 11119722
5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione
CID 25112902
1-[(Z)-3-[hydroxymethyl(dimethyl)silyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
CID 15405094
1-[(2-methoxy-5-nitrophenyl)methyl]-5-methylpyrimidine-2,4-dione
CID 60734739
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione
CID 68859928
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate?
The IUPAC name of (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate (CID 142715788) is (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate.
What is the SMILES notation for (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate?
The canonical SMILES for (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate is Cc1cn(O[N+](=O)[O-])c(=O)[nH]c1=O.
What is the InChIKey of (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate?
The InChIKey is DDWRSVJQMIHTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O5/c1-3-2-7(13-8(11)12)5(10)6-4(3)9/h2H,1H3,(H,6,9,10).
What are the key properties of (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate?
(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate has a molecular weight of 187.11 g/mol, XLogP of -1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,4-dioxopyrimidin-1-yl) nitrate is sourced from PubChem (CID 142715788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).