N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

C14H14F2N4O — CID 58166421

IUPACN'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(=O)n(Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H14F2N4O/c1-19(2)9-17-13-12(16)8-20(14(21)18-13)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3/b17-9+
InChIKeyINLOFWBQUMXQGG-RQZCQDPDSA-N
MW292.29 g/mol
LogP1.79
Rot. Bonds4

About N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 58166421) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID58166421
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(=O)n(Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H14F2N4O/c1-19(2)9-17-13-12(16)8-20(14(21)18-13)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3/b17-9+
InChIKeyINLOFWBQUMXQGG-RQZCQDPDSA-N
XLogP1.79
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
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'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 58166421) is N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(=O)n(Cc2ccc(F)cc2)cc1F.
What is the InChIKey of N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is INLOFWBQUMXQGG-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-19(2)9-17-13-12(16)8-20(14(21)18-13)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3/b17-9+.
What are the key properties of N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 292.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 58166421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).