N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C11H17N3O2S — CID 135426208

IUPACN,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-4-14(5-2)10(16)7-17-11-12-8(3)6-9(15)13-11/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyXYQIKGBQFFHBRH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.04
Rot. Bonds5

About N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135426208) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135426208
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-4-14(5-2)10(16)7-17-11-12-8(3)6-9(15)13-11/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyXYQIKGBQFFHBRH-UHFFFAOYSA-N
XLogP1.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135426208) is N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is XYQIKGBQFFHBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-14(5-2)10(16)7-17-11-12-8(3)6-9(15)13-11/h6H,4-5,7H2,1-3H3,(H,12,13,15).
What are the key properties of N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135426208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).