2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide

C9H14N4OS — CID 66217003

IUPAC2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESCC(N)CSCC(=O)Nc1ncccn1
InChIInChI=1S/C9H14N4OS/c1-7(10)5-15-6-8(14)13-9-11-3-2-4-12-9/h2-4,7H,5-6,10H2,1H3,(H,11,12,13,14)
InChIKeyGPXQYFQJAZGNGF-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.50
Rot. Bonds5

About 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide

2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide (PubChem CID 66217003) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
PubChem CID66217003
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESCC(N)CSCC(=O)Nc1ncccn1
InChIInChI=1S/C9H14N4OS/c1-7(10)5-15-6-8(14)13-9-11-3-2-4-12-9/h2-4,7H,5-6,10H2,1H3,(H,11,12,13,14)
InChIKeyGPXQYFQJAZGNGF-UHFFFAOYSA-N
XLogP0.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66228013
2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 66222087
2-(3-hydroxypropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66112760
2-(2-aminopropylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 66218227
2-benzylsulfanyl-N-pyrimidin-2-ylacetamide
CID 4167092
2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66219437
2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 66219199
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
6-amino-2-methyl-N-pyrimidin-2-ylheptanamide
CID 65293354
[2-oxo-2-(pyrimidin-2-ylamino)ethyl] carbamimidothioate
CID 65211793

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide (CID 66217003) is 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide is CC(N)CSCC(=O)Nc1ncccn1.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide?
The InChIKey is GPXQYFQJAZGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-7(10)5-15-6-8(14)13-9-11-3-2-4-12-9/h2-4,7H,5-6,10H2,1H3,(H,11,12,13,14).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide?
2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide has a molecular weight of 226.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 66217003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).