N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

C10H16N4OS — CID 39082404

IUPACN-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C)CCNC(=O)CSc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-14(2)7-6-11-9(15)8-16-10-12-4-3-5-13-10/h3-5H,6-8H2,1-2H3,(H,11,15)
InChIKeyIKKSUBGZYGMZKY-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.25
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 39082404) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID39082404
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C)CCNC(=O)CSc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-14(2)7-6-11-9(15)8-16-10-12-4-3-5-13-10/h3-5H,6-8H2,1-2H3,(H,11,15)
InChIKeyIKKSUBGZYGMZKY-UHFFFAOYSA-N
XLogP0.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 39082382
N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide
CID 9202418
N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 21061194
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-[2-(4-tert-butylphenoxy)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202382
N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202409
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 46995282
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 121121310
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943839
(2,5-dihydroxypyrrol-1-yl) 3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]propanoate
CID 91538972
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
(2S)-2-amino-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]propanoic acid
CID 70134863

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 39082404) is N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is CN(C)CCNC(=O)CSc1ncccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is IKKSUBGZYGMZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-14(2)7-6-11-9(15)8-16-10-12-4-3-5-13-10/h3-5H,6-8H2,1-2H3,(H,11,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 240.33 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 39082404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).