N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C15H15N3O2S — CID 20913526

IUPACN-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(C(C)=O)cc2)c(C)n1
InChIInChI=1S/C15H15N3O2S/c1-9-13(8-16-15(17-9)21-3)14(20)18-12-6-4-11(5-7-12)10(2)19/h4-8H,1-3H3,(H,18,20)
InChIKeyIDNNWAUHGYPLQW-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.96
Rot. Bonds4

About N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913526) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913526
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(C(C)=O)cc2)c(C)n1
InChIInChI=1S/C15H15N3O2S/c1-9-13(8-16-15(17-9)21-3)14(20)18-12-6-4-11(5-7-12)10(2)19/h4-8H,1-3H3,(H,18,20)
InChIKeyIDNNWAUHGYPLQW-UHFFFAOYSA-N
XLogP2.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913526) is N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2ccc(C(C)=O)cc2)c(C)n1.
What is the InChIKey of N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is IDNNWAUHGYPLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-13(8-16-15(17-9)21-3)14(20)18-12-6-4-11(5-7-12)10(2)19/h4-8H,1-3H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).