N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C8H11N3O2S — CID 135416609

IUPACN-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCSc1nc(C)c(NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2S/c1-4-6(10-5(2)12)7(13)11-8(9-4)14-3/h1-3H3,(H,10,12)(H,9,11,13)
InChIKeyXDJPAWHOKKQRSB-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.76
Rot. Bonds2

About N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135416609) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135416609
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCSc1nc(C)c(NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2S/c1-4-6(10-5(2)12)7(13)11-8(9-4)14-3/h1-3H3,(H,10,12)(H,9,11,13)
InChIKeyXDJPAWHOKKQRSB-UHFFFAOYSA-N
XLogP0.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135416609) is N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CSc1nc(C)c(NC(C)=O)c(=O)[nH]1.
What is the InChIKey of N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is XDJPAWHOKKQRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-4-6(10-5(2)12)7(13)11-8(9-4)14-3/h1-3H3,(H,10,12)(H,9,11,13).
What are the key properties of N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 213.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135416609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).