4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide

C12H11FN4O — CID 62760275

IUPAC4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(F)c(NCc2cncnc2)c1
InChIInChI=1S/C12H11FN4O/c13-10-2-1-9(12(14)18)3-11(10)17-6-8-4-15-7-16-5-8/h1-5,7,17H,6H2,(H2,14,18)
InChIKeyWVWDSERTHPECMI-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.33
Rot. Bonds4

About 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide

4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide (PubChem CID 62760275) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
PubChem CID62760275
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(F)c(NCc2cncnc2)c1
InChIInChI=1S/C12H11FN4O/c13-10-2-1-9(12(14)18)3-11(10)17-6-8-4-15-7-16-5-8/h1-5,7,17H,6H2,(H2,14,18)
InChIKeyWVWDSERTHPECMI-UHFFFAOYSA-N
XLogP1.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
CID 114452430
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide
CID 66131700
2-fluoro-5-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760465
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43783759
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide?
The IUPAC name of 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide (CID 62760275) is 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide.
What is the SMILES notation for 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide?
The canonical SMILES for 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide is NC(=O)c1ccc(F)c(NCc2cncnc2)c1.
What is the InChIKey of 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide?
The InChIKey is WVWDSERTHPECMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-10-2-1-9(12(14)18)3-11(10)17-6-8-4-15-7-16-5-8/h1-5,7,17H,6H2,(H2,14,18).
What are the key properties of 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide?
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide has a molecular weight of 246.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide is sourced from PubChem (CID 62760275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).