4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one

C14H15N5OS — CID 80750261

IUPAC4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
SMILESCNc1cc(N2CC(=O)Nc3ccccc32)nc(SC)n1
InChIInChI=1S/C14H15N5OS/c1-15-11-7-12(18-14(17-11)21-2)19-8-13(20)16-9-5-3-4-6-10(9)19/h3-7H,8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyZYDKYXLXKZCDMO-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.33
Rot. Bonds3

About 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one

4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one (PubChem CID 80750261) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
PubChem CID80750261
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
SMILESCNc1cc(N2CC(=O)Nc3ccccc32)nc(SC)n1
InChIInChI=1S/C14H15N5OS/c1-15-11-7-12(18-14(17-11)21-2)19-8-13(20)16-9-5-3-4-6-10(9)19/h3-7H,8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyZYDKYXLXKZCDMO-UHFFFAOYSA-N
XLogP2.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one (CID 80750261) is 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one is CNc1cc(N2CC(=O)Nc3ccccc32)nc(SC)n1.
What is the InChIKey of 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZYDKYXLXKZCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-15-11-7-12(18-14(17-11)21-2)19-8-13(20)16-9-5-3-4-6-10(9)19/h3-7H,8H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 301.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 80750261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).