N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

C10H14N4O2S — CID 3691663

IUPACN-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)NC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C10H14N4O2S/c1-7(2)13-9(16)14-8(15)6-17-10-11-4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyLQGJPFYHBQBEAN-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.80
Rot. Bonds4

About N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 3691663) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID3691663
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)NC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C10H14N4O2S/c1-7(2)13-9(16)14-8(15)6-17-10-11-4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyLQGJPFYHBQBEAN-UHFFFAOYSA-N
XLogP0.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
CID 1084805
N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2403031
N-cyclopentyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 16318744
N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2474912
N-cyclopropyl-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 6465408
N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 11947660
2,2-dimethyl-N-[2,2,2-trichloro-1-(2-pyrimidinylthio)ethyl]propanamide
CID 3090180
N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2628835
N-cyclohexyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 711869
Ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate
CID 2824807
N-cyclopentyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 4618357
2-[2-(Carbamoylmethylthio)pyrimidin-4-ylthio]acetamide
CID 24321009

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 3691663) is N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is CC(C)NC(=O)NC(=O)CSc1ncccn1.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is LQGJPFYHBQBEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-7(2)13-9(16)14-8(15)6-17-10-11-4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 254.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 3691663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).