(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone

C15H14FN3O6 — CID 141342160

IUPAC(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone
SMILESCOCc1cc(F)cc(C(=O)c2nc(OC)cc(OC)n2)c1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O6/c1-23-7-8-4-9(16)5-10(13(8)19(21)22)14(20)15-17-11(24-2)6-12(18-15)25-3/h4-6H,7H2,1-3H3
InChIKeyCIMPMXVJPHTRKH-UHFFFAOYSA-N
MW351.29 g/mol
LogP1.92
Rot. Bonds7

About (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone

(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone (PubChem CID 141342160) has the molecular formula C15H14FN3O6 and a molecular weight of 351.29 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone
PubChem CID141342160
Molecular FormulaC15H14FN3O6
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone
SMILESCOCc1cc(F)cc(C(=O)c2nc(OC)cc(OC)n2)c1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O6/c1-23-7-8-4-9(16)5-10(13(8)19(21)22)14(20)15-17-11(24-2)6-12(18-15)25-3/h4-6H,7H2,1-3H3
InChIKeyCIMPMXVJPHTRKH-UHFFFAOYSA-N
XLogP1.92
TPSA113.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

[5-bromo-3-(methoxymethyl)-2-nitrophenyl]-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 141342136
(4,6-dimethoxypyrimidin-2-yl)-(3-ethyl-2-nitrophenyl)methanone
CID 18417992
[5-bromo-2-nitro-3-(propan-2-yloxymethyl)phenyl]-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 141342114
(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-2-nitro-3-(propan-2-yloxymethyl)phenyl]methanol
CID 141342146
(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]-2-nitrophenyl]methanol
CID 141342130
(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-2-nitro-3-(propoxymethyl)phenyl]methanol
CID 141342125
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
methyl 2-(3,5-difluoro-2-nitrophenyl)acetate
CID 121228600
[2-amino-3-(methoxymethyl)phenyl]-(4,6-dimethoxypyrimidin-2-yl)methanol;[2-amino-3-(methoxymethyl)phenyl]-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 158780902
methyl 3-bromo-5-fluoro-2-nitrobenzoate
CID 131273964
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
[5-bromo-3-(ethoxymethyl)-2-nitrophenyl]-(4,6-dimethoxypyrimidin-2-yl)methanol
CID 141342168

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone?
The IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone (CID 141342160) is (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone.
What is the SMILES notation for (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone?
The canonical SMILES for (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone is COCc1cc(F)cc(C(=O)c2nc(OC)cc(OC)n2)c1[N+](=O)[O-].
What is the InChIKey of (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone?
The InChIKey is CIMPMXVJPHTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O6/c1-23-7-8-4-9(16)5-10(13(8)19(21)22)14(20)15-17-11(24-2)6-12(18-15)25-3/h4-6H,7H2,1-3H3.
What are the key properties of (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone?
(4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone has a molecular weight of 351.29 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-2-yl)-[5-fluoro-3-(methoxymethyl)-2-nitrophenyl]methanone is sourced from PubChem (CID 141342160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).