(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide

C15H17FN4O2 — CID 95120289

IUPAC(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2cc(F)ccc2C)ncn1
InChIInChI=1S/C15H17FN4O2/c1-9-4-5-11(16)6-12(9)20-15(21)10(2)19-13-7-14(22-3)18-8-17-13/h4-8,10H,1-3H3,(H,20,21)(H,17,18,19)/t10-/m0/s1
InChIKeyYUPAOASYBGPAAO-JTQLQIEISA-N
MW304.33 g/mol
LogP2.37
Rot. Bonds5

About (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide

(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide (PubChem CID 95120289) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
PubChem CID95120289
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2cc(F)ccc2C)ncn1
InChIInChI=1S/C15H17FN4O2/c1-9-4-5-11(16)6-12(9)20-15(21)10(2)19-13-7-14(22-3)18-8-17-13/h4-8,10H,1-3H3,(H,20,21)(H,17,18,19)/t10-/m0/s1
InChIKeyYUPAOASYBGPAAO-JTQLQIEISA-N
XLogP2.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 113407899
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 75507032
(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
CID 95173879
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
The IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide (CID 95120289) is (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
The canonical SMILES for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide is COc1cc(N[C@@H](C)C(=O)Nc2cc(F)ccc2C)ncn1.
What is the InChIKey of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
The InChIKey is YUPAOASYBGPAAO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-9-4-5-11(16)6-12(9)20-15(21)10(2)19-13-7-14(22-3)18-8-17-13/h4-8,10H,1-3H3,(H,20,21)(H,17,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide has a molecular weight of 304.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 95120289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).