N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine

C15H19N5S — CID 80818766

IUPACN-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(C)c3ccccc32)nc(SC)n1
InChIInChI=1S/C15H19N5S/c1-16-13-10-14(18-15(17-13)21-3)20-9-8-19(2)11-6-4-5-7-12(11)20/h4-7,10H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyFKANEPSKDYLIRG-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.83
Rot. Bonds3

About N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine

N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80818766) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80818766
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(C)c3ccccc32)nc(SC)n1
InChIInChI=1S/C15H19N5S/c1-16-13-10-14(18-15(17-13)21-3)20-9-8-19(2)11-6-4-5-7-12(11)20/h4-7,10H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyFKANEPSKDYLIRG-UHFFFAOYSA-N
XLogP2.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine (CID 80818766) is N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine is CNc1cc(N2CCN(C)c3ccccc32)nc(SC)n1.
What is the InChIKey of N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FKANEPSKDYLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-16-13-10-14(18-15(17-13)21-3)20-9-8-19(2)11-6-4-5-7-12(11)20/h4-7,10H,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80818766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).