N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

C13H13FN4O2 — CID 75537581

IUPACN'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(=O)[nH]c(=O)n1-c1ccccc1F
InChIInChI=1S/C13H13FN4O2/c1-17(2)8-15-11-7-12(19)16-13(20)18(11)10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H,16,19,20)/b15-8+
InChIKeyIHIAEIQMMHGHDR-OVCLIPMQSA-N
MW276.27 g/mol
LogP0.89
Rot. Bonds3

About N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 75537581) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID75537581
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC NameN'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(=O)[nH]c(=O)n1-c1ccccc1F
InChIInChI=1S/C13H13FN4O2/c1-17(2)8-15-11-7-12(19)16-13(20)18(11)10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H,16,19,20)/b15-8+
InChIKeyIHIAEIQMMHGHDR-OVCLIPMQSA-N
XLogP0.89
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 75537581) is N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cc(=O)[nH]c(=O)n1-c1ccccc1F.
What is the InChIKey of N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is IHIAEIQMMHGHDR-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-17(2)8-15-11-7-12(19)16-13(20)18(11)10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H,16,19,20)/b15-8+.
What are the key properties of N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 276.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-fluorophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 75537581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).