N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide

C13H13FN4OS — CID 63698509

IUPACN-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide
SMILESCC(Sc1ccncn1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H13FN4OS/c1-8(20-12-4-5-16-7-17-12)13(19)18-11-6-9(15)2-3-10(11)14/h2-8H,15H2,1H3,(H,18,19)
InChIKeyQGULUHAQIRATML-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.32
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide

N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide (PubChem CID 63698509) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide
PubChem CID63698509
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC NameN-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide
SMILESCC(Sc1ccncn1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H13FN4OS/c1-8(20-12-4-5-16-7-17-12)13(19)18-11-6-9(15)2-3-10(11)14/h2-8H,15H2,1H3,(H,18,19)
InChIKeyQGULUHAQIRATML-UHFFFAOYSA-N
XLogP2.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382522
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66105977
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 94033104
N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
CID 43098969
N-(5-amino-2-fluorophenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79682042
(2S)-N-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41112407
(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 8985865

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide (CID 63698509) is N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide is CC(Sc1ccncn1)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is QGULUHAQIRATML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c1-8(20-12-4-5-16-7-17-12)13(19)18-11-6-9(15)2-3-10(11)14/h2-8H,15H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide?
N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 292.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 63698509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).