2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide

C12H19N3O2S — CID 135490804

IUPAC2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2S/c1-5-15(6-2)10(16)7-18-12-13-9(4)8(3)11(17)14-12/h5-7H2,1-4H3,(H,13,14,17)
InChIKeySBQLVNYKEOKABM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.35
Rot. Bonds5

About 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide

2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 135490804) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID135490804
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2S/c1-5-15(6-2)10(16)7-18-12-13-9(4)8(3)11(17)14-12/h5-7H2,1-4H3,(H,13,14,17)
InChIKeySBQLVNYKEOKABM-UHFFFAOYSA-N
XLogP1.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide (CID 135490804) is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is SBQLVNYKEOKABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-15(6-2)10(16)7-18-12-13-9(4)8(3)11(17)14-12/h5-7H2,1-4H3,(H,13,14,17).
What are the key properties of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 135490804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).