N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide

C14H15FN4OS — CID 61383083

IUPACN-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cnc(SCCC(=O)Nc2ccc(F)cc2N)nc1
InChIInChI=1S/C14H15FN4OS/c1-9-7-17-14(18-8-9)21-5-4-13(20)19-12-3-2-10(15)6-11(12)16/h2-3,6-8H,4-5,16H2,1H3,(H,19,20)
InChIKeyCPPBNTNEUYCURB-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.63
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide

N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 61383083) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID61383083
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cnc(SCCC(=O)Nc2ccc(F)cc2N)nc1
InChIInChI=1S/C14H15FN4OS/c1-9-7-17-14(18-8-9)21-5-4-13(20)19-12-3-2-10(15)6-11(12)16/h2-3,6-8H,4-5,16H2,1H3,(H,19,20)
InChIKeyCPPBNTNEUYCURB-UHFFFAOYSA-N
XLogP2.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide 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-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
CID 63205828
N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922142
N-(2-amino-4-fluorophenyl)-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 62897703
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 43302341

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide (CID 61383083) is N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide is Cc1cnc(SCCC(=O)Nc2ccc(F)cc2N)nc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is CPPBNTNEUYCURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-9-7-17-14(18-8-9)21-5-4-13(20)19-12-3-2-10(15)6-11(12)16/h2-3,6-8H,4-5,16H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 61383083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).