2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide

C13H14N4OS — CID 100723955

IUPAC2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide
SMILESNc1ccnc(CSCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C13H14N4OS/c14-11-6-7-15-12(17-11)8-19-9-13(18)16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H2,14,15,17)
InChIKeyOPGMJWLQVLCBEH-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.93
Rot. Bonds5

About 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide

2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide (PubChem CID 100723955) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide
PubChem CID100723955
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide
SMILESNc1ccnc(CSCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C13H14N4OS/c14-11-6-7-15-12(17-11)8-19-9-13(18)16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H2,14,15,17)
InChIKeyOPGMJWLQVLCBEH-UHFFFAOYSA-N
XLogP1.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(4-bromophenyl)acetamide
CID 51586421
4-[(2-benzylsulfanylacetyl)amino]pyridine-2-carboxylic acid
CID 63650192
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17490808
N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 100724139
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
2-benzylsulfanyl-N-pyrimidin-2-ylacetamide
CID 4167092
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]benzoate
CID 5012492
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
2-benzylsulfanyl-N-[4-[2-[4-[(2-benzylsulfanylacetyl)amino]phenyl]pyrimidin-5-yl]phenyl]acetamide
CID 4176805

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide (CID 100723955) is 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide is Nc1ccnc(CSCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is OPGMJWLQVLCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-11-6-7-15-12(17-11)8-19-9-13(18)16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H2,14,15,17).
What are the key properties of 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide?
2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 274.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 100723955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).