N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide

C21H20N6O2S — CID 3234451

IUPACN-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCc1cnc(CNc2ncnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)cn1
InChIInChI=1S/C21H20N6O2S/c1-14-10-23-18(11-22-14)12-24-21-19-9-16(6-7-20(19)25-13-26-21)15-4-3-5-17(8-15)27-30(2,28)29/h3-11,13,27H,12H2,1-2H3,(H,24,25,26)
InChIKeyWNGWWFPBJXZGJE-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.38
Rot. Bonds6

About N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide

N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide (PubChem CID 3234451) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
PubChem CID3234451
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC NameN-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCc1cnc(CNc2ncnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)cn1
InChIInChI=1S/C21H20N6O2S/c1-14-10-23-18(11-22-14)12-24-21-19-9-16(6-7-20(19)25-13-26-21)15-4-3-5-17(8-15)27-30(2,28)29/h3-11,13,27H,12H2,1-2H3,(H,24,25,26)
InChIKeyWNGWWFPBJXZGJE-UHFFFAOYSA-N
XLogP3.38
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide (CID 3234451) is N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide is Cc1cnc(CNc2ncnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)cn1.
What is the InChIKey of N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is WNGWWFPBJXZGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-14-10-23-18(11-22-14)12-24-21-19-9-16(6-7-20(19)25-13-26-21)15-4-3-5-17(8-15)27-30(2,28)29/h3-11,13,27H,12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 420.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3234451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).