2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide

C15H18N4OS — CID 84590191

IUPAC2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)c1cc(C)ncn1
InChIInChI=1S/C15H18N4OS/c1-11-8-14(17-10-16-11)19(2)9-15(20)18-12-6-4-5-7-13(12)21-3/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyJNODYZDKWGCOGN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.58
Rot. Bonds5

About 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 84590191) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID84590191
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)c1cc(C)ncn1
InChIInChI=1S/C15H18N4OS/c1-11-8-14(17-10-16-11)19(2)9-15(20)18-12-6-4-5-7-13(12)21-3/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyJNODYZDKWGCOGN-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide (CID 84590191) is 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)c1cc(C)ncn1.
What is the InChIKey of 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is JNODYZDKWGCOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-8-14(17-10-16-11)19(2)9-15(20)18-12-6-4-5-7-13(12)21-3/h4-8,10H,9H2,1-3H3,(H,18,20).
What are the key properties of 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 84590191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).