3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione

C6H7N3O5 — CID 87724968

IUPAC3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione
SMILESCOn1c(=O)[nH]c(C)c([N+](=O)[O-])c1=O
InChIInChI=1S/C6H7N3O5/c1-3-4(9(12)13)5(10)8(14-2)6(11)7-3/h1-2H3,(H,7,11)
InChIKeyYNNIMFMDUDBFBV-UHFFFAOYSA-N
MW201.14 g/mol
LogP-1.19
Rot. Bonds2

About 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione

3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione (PubChem CID 87724968) has the molecular formula C6H7N3O5 and a molecular weight of 201.14 g/mol. Its IUPAC name is 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione
PubChem CID87724968
Molecular FormulaC6H7N3O5
Molecular Weight201.14 g/mol
Exact Mass201.04
IUPAC Name3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione
SMILESCOn1c(=O)[nH]c(C)c([N+](=O)[O-])c1=O
InChIInChI=1S/C6H7N3O5/c1-3-4(9(12)13)5(10)8(14-2)6(11)7-3/h1-2H3,(H,7,11)
InChIKeyYNNIMFMDUDBFBV-UHFFFAOYSA-N
XLogP-1.19
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-1.19
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

ethane;2,3,6-trimethyl-5-nitro-1H-pyridin-4-one
CID 144663698
3-chloro-2,6-dimethyl-5-nitro-1H-pyridin-4-one
CID 536005
1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione
CID 16757004
diethyl 6-methyl-5-nitro-2-oxo-1H-pyridine-3,4-dicarboxylate
CID 19935590
6-methoxy-5-nitro-1H-pyrimidine-2,4-dione
CID 59309992
3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxamide
CID 141229738
1-(ethoxymethyl)-6-hydroxy-5-nitropyrimidine-2,4-dione
CID 15273237
1,2,6-trimethyl-3,5-dinitropyridin-4-one
CID 125114982
4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one
CID 54708954
2-(3,5-dimethyl-4-nitro-1H-pyrrol-2-yl)ethyl formate
CID 175264829
3-methyl-2H-isoquinolin-1-one;3-methyl-4-nitro-2H-isoquinolin-1-one
CID 160598821
6-chloro-3-[4-(6-chloro-5-nitro-2,4-dioxo-1H-pyrimidin-3-yl)butyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 10646611

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione (CID 87724968) is 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione is COn1c(=O)[nH]c(C)c([N+](=O)[O-])c1=O.
What is the InChIKey of 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione?
The InChIKey is YNNIMFMDUDBFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O5/c1-3-4(9(12)13)5(10)8(14-2)6(11)7-3/h1-2H3,(H,7,11).
What are the key properties of 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione?
3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione has a molecular weight of 201.14 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 87724968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).