N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

C10H14N4O3S — CID 2651102

IUPACN-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C10H14N4O3S/c1-17-6-5-11-9(16)14-8(15)7-18-10-12-3-2-4-13-10/h2-4H,5-7H2,1H3,(H2,11,14,15,16)
InChIKeyNZDMXHNBFSAODN-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.04
Rot. Bonds6

About N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2651102) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2651102
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C10H14N4O3S/c1-17-6-5-11-9(16)14-8(15)7-18-10-12-3-2-4-13-10/h2-4H,5-7H2,1H3,(H2,11,14,15,16)
InChIKeyNZDMXHNBFSAODN-UHFFFAOYSA-N
XLogP0.04
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 7995383
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 29485995
N-[2-(4-tert-butylphenoxy)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202382
N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 39082382
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 2568791
N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 21061194
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 17433500
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 79149469
2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 43392468

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2651102) is N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is COCCNC(=O)NC(=O)CSc1ncccn1.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NZDMXHNBFSAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-17-6-5-11-9(16)14-8(15)7-18-10-12-3-2-4-13-10/h2-4H,5-7H2,1H3,(H2,11,14,15,16).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 270.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2651102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).