N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide

C12H19N3O2S — CID 7748229

IUPACN,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(SC)nc(C)cc1=O
InChIInChI=1S/C12H19N3O2S/c1-5-14(6-2)11(17)8-15-10(16)7-9(3)13-12(15)18-4/h7H,5-6,8H2,1-4H3
InChIKeyRIXXINMQXQNBOC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.14
Rot. Bonds5

About N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide

N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 7748229) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID7748229
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(SC)nc(C)cc1=O
InChIInChI=1S/C12H19N3O2S/c1-5-14(6-2)11(17)8-15-10(16)7-9(3)13-12(15)18-4/h7H,5-6,8H2,1-4H3
InChIKeyRIXXINMQXQNBOC-UHFFFAOYSA-N
XLogP1.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide (CID 7748229) is N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide is CCN(CC)C(=O)Cn1c(SC)nc(C)cc1=O.
What is the InChIKey of N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is RIXXINMQXQNBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-14(6-2)11(17)8-15-10(16)7-9(3)13-12(15)18-4/h7H,5-6,8H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 7748229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).