N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide

C10H14N4O2S — CID 9202418

IUPACN,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1ncccn1
InChIInChI=1S/C10H14N4O2S/c1-14(2)9(16)6-13-8(15)7-17-10-11-4-3-5-12-10/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyCMOTZXRZTKPPFZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.23
Rot. Bonds5

About N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide

N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide (PubChem CID 9202418) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide
PubChem CID9202418
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1ncccn1
InChIInChI=1S/C10H14N4O2S/c1-14(2)9(16)6-13-8(15)7-17-10-11-4-3-5-12-10/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyCMOTZXRZTKPPFZ-UHFFFAOYSA-N
XLogP-0.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide (CID 9202418) is N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide is CN(C)C(=O)CNC(=O)CSc1ncccn1.
What is the InChIKey of N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide?
The InChIKey is CMOTZXRZTKPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-14(2)9(16)6-13-8(15)7-17-10-11-4-3-5-12-10/h3-5H,6-7H2,1-2H3,(H,13,15).
What are the key properties of N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide?
N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide has a molecular weight of 254.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 9202418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).