N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C15H17N3OS — CID 20913543

IUPACN-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(C)c2C)c(C)n1
InChIInChI=1S/C15H17N3OS/c1-9-6-5-7-13(10(9)2)18-14(19)12-8-16-15(20-4)17-11(12)3/h5-8H,1-4H3,(H,18,19)
InChIKeyMVRYXDFHVAQSAX-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.38
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913543) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913543
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(C)c2C)c(C)n1
InChIInChI=1S/C15H17N3OS/c1-9-6-5-7-13(10(9)2)18-14(19)12-8-16-15(20-4)17-11(12)3/h5-8H,1-4H3,(H,18,19)
InChIKeyMVRYXDFHVAQSAX-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913543) is N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2cccc(C)c2C)c(C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is MVRYXDFHVAQSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-6-5-7-13(10(9)2)18-14(19)12-8-16-15(20-4)17-11(12)3/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).