N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

C12H18N4O2S — CID 2474912

IUPACN-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)CCNC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C12H18N4O2S/c1-9(2)4-7-13-11(18)16-10(17)8-19-12-14-5-3-6-15-12/h3,5-6,9H,4,7-8H2,1-2H3,(H2,13,16,17,18)
InChIKeyHWJVIZLEWBYTNZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.44
Rot. Bonds6

About N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2474912) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2474912
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)CCNC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C12H18N4O2S/c1-9(2)4-7-13-11(18)16-10(17)8-19-12-14-5-3-6-15-12/h3,5-6,9H,4,7-8H2,1-2H3,(H2,13,16,17,18)
InChIKeyHWJVIZLEWBYTNZ-UHFFFAOYSA-N
XLogP1.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2474912) is N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is CC(C)CCNC(=O)NC(=O)CSc1ncccn1.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is HWJVIZLEWBYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9(2)4-7-13-11(18)16-10(17)8-19-12-14-5-3-6-15-12/h3,5-6,9H,4,7-8H2,1-2H3,(H2,13,16,17,18).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 282.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2474912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).