2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

C12H19N3O2S — CID 135491344

IUPAC2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCc1nc(SCC(N)=O)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)4-5-9-8(3)14-12(15-11(9)17)18-6-10(13)16/h7H,4-6H2,1-3H3,(H2,13,16)(H,14,15,17)
InChIKeyFAEUOWXQRIIVIW-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.24
Rot. Bonds6

About 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135491344) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135491344
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCc1nc(SCC(N)=O)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)4-5-9-8(3)14-12(15-11(9)17)18-6-10(13)16/h7H,4-6H2,1-3H3,(H2,13,16)(H,14,15,17)
InChIKeyFAEUOWXQRIIVIW-UHFFFAOYSA-N
XLogP1.24
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 135491344) is 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is Cc1nc(SCC(N)=O)[nH]c(=O)c1CCC(C)C.
What is the InChIKey of 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is FAEUOWXQRIIVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)4-5-9-8(3)14-12(15-11(9)17)18-6-10(13)16/h7H,4-6H2,1-3H3,(H2,13,16)(H,14,15,17).
What are the key properties of 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135491344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).