N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

C9H11FN4O2 — CID 50898354

IUPACN'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)n1cc(F)c(/N=C/N(C)C)nc1=O
InChIInChI=1S/C9H11FN4O2/c1-6(15)14-4-7(10)8(12-9(14)16)11-5-13(2)3/h4-5H,1-3H3/b11-5+
InChIKeyZLKUNDZUAHXHFV-VZUCSPMQSA-N
MW226.21 g/mol
LogP0.26
Rot. Bonds2

About N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 50898354) has the molecular formula C9H11FN4O2 and a molecular weight of 226.21 g/mol. Its IUPAC name is N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID50898354
Molecular FormulaC9H11FN4O2
Molecular Weight226.21 g/mol
Exact Mass226.09
IUPAC NameN'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)n1cc(F)c(/N=C/N(C)C)nc1=O
InChIInChI=1S/C9H11FN4O2/c1-6(15)14-4-7(10)8(12-9(14)16)11-5-13(2)3/h4-5H,1-3H3/b11-5+
InChIKeyZLKUNDZUAHXHFV-VZUCSPMQSA-N
XLogP0.26
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 50898354) is N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is CC(=O)n1cc(F)c(/N=C/N(C)C)nc1=O.
What is the InChIKey of N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is ZLKUNDZUAHXHFV-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H11FN4O2/c1-6(15)14-4-7(10)8(12-9(14)16)11-5-13(2)3/h4-5H,1-3H3/b11-5+.
What are the key properties of N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 226.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 50898354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).