N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide

C14H16N4OS — CID 62268023

IUPACN-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccnc(SCCC(=O)Nc2ccccc2N)n1
InChIInChI=1S/C14H16N4OS/c1-10-6-8-16-14(17-10)20-9-7-13(19)18-12-5-3-2-4-11(12)15/h2-6,8H,7,9,15H2,1H3,(H,18,19)
InChIKeyHOSBFBCTSGVFHU-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.49
Rot. Bonds5

About N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide

N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 62268023) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID62268023
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccnc(SCCC(=O)Nc2ccccc2N)n1
InChIInChI=1S/C14H16N4OS/c1-10-6-8-16-14(17-10)20-9-7-13(19)18-12-5-3-2-4-11(12)15/h2-6,8H,7,9,15H2,1H3,(H,18,19)
InChIKeyHOSBFBCTSGVFHU-UHFFFAOYSA-N
XLogP2.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
CID 63582535
N-(3-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268022
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62269428
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 851328
N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide
CID 61245255
2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497444
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 901165
N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 131922657
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62268189
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 63738165

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide (CID 62268023) is N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide is Cc1ccnc(SCCC(=O)Nc2ccccc2N)n1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is HOSBFBCTSGVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-6-8-16-14(17-10)20-9-7-13(19)18-12-5-3-2-4-11(12)15/h2-6,8H,7,9,15H2,1H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 288.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 62268023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).