2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

C12H19N3O2S — CID 135561949

IUPAC2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2S/c1-4-6-13-10(16)7-18-12-14-8(3)9(5-2)11(17)15-12/h4-7H2,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyZKYDBWCBIRPXNR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.26
Rot. Bonds6

About 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 135561949) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
PubChem CID135561949
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2S/c1-4-6-13-10(16)7-18-12-14-8(3)9(5-2)11(17)15-12/h4-7H2,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyZKYDBWCBIRPXNR-UHFFFAOYSA-N
XLogP1.26
TPSA74.85 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (CID 135561949) is 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nc(C)c(CC)c(=O)[nH]1.
What is the InChIKey of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is ZKYDBWCBIRPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-6-13-10(16)7-18-12-14-8(3)9(5-2)11(17)15-12/h4-7H2,1-3H3,(H,13,16)(H,14,15,17).
What are the key properties of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 135561949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).