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

C17H18N6O2S — CID 3235069

IUPACN-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCc1cnc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)cn1
InChIInChI=1S/C17H18N6O2S/c1-12-9-20-15(10-19-12)11-21-16-6-7-18-17(22-16)13-4-3-5-14(8-13)23-26(2,24)25/h3-10,23H,11H2,1-2H3,(H,18,21,22)
InChIKeyAPXNNYPFLYIYRF-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.23
Rot. Bonds6

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

N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 3235069) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
PubChem CID3235069
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCc1cnc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)cn1
InChIInChI=1S/C17H18N6O2S/c1-12-9-20-15(10-19-12)11-21-16-6-7-18-17(22-16)13-4-3-5-14(8-13)23-26(2,24)25/h3-10,23H,11H2,1-2H3,(H,18,21,22)
InChIKeyAPXNNYPFLYIYRF-UHFFFAOYSA-N
XLogP2.23
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.23
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]pyrimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide (CID 3235069) is N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide is Cc1cnc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)cn1.
What is the InChIKey of N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is APXNNYPFLYIYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-12-9-20-15(10-19-12)11-21-16-6-7-18-17(22-16)13-4-3-5-14(8-13)23-26(2,24)25/h3-10,23H,11H2,1-2H3,(H,18,21,22).
What are the key properties of N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 370.44 g/mol, XLogP of 2.23, 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]pyrimidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3235069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).