N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide

C9H13N3OS — CID 2693164

IUPACN-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)NC(=O)CSc1ncccn1
InChIInChI=1S/C9H13N3OS/c1-7(2)12-8(13)6-14-9-10-4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyKCDHRNDFEXCMJB-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.09
Rot. Bonds4

About N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide

N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2693164) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2693164
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)NC(=O)CSc1ncccn1
InChIInChI=1S/C9H13N3OS/c1-7(2)12-8(13)6-14-9-10-4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyKCDHRNDFEXCMJB-UHFFFAOYSA-N
XLogP1.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
CID 1084805
N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 1442141
N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2403031
N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3691663
N-(2,3-dimethylcyclohexyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16303703
N-cyclopentyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 16318744
2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
1-(Azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 2436244
N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2474912
N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6465408
N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6469527
N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 11947660

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide (CID 2693164) is N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide is CC(C)NC(=O)CSc1ncccn1.
What is the InChIKey of N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is KCDHRNDFEXCMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7(2)12-8(13)6-14-9-10-4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 211.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2693164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).