N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine

C12H14N4O2S — CID 114598850

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCc1cnc(CNc2ncccc2S(C)(=O)=O)cn1
InChIInChI=1S/C12H14N4O2S/c1-9-6-15-10(7-14-9)8-16-12-11(19(2,17)18)4-3-5-13-12/h3-7H,8H2,1-2H3,(H,13,16)
InChIKeyNKWQNYOLZGUKNS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.20
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine

N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 114598850) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID114598850
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCc1cnc(CNc2ncccc2S(C)(=O)=O)cn1
InChIInChI=1S/C12H14N4O2S/c1-9-6-15-10(7-14-9)8-16-12-11(19(2,17)18)4-3-5-13-12/h3-7H,8H2,1-2H3,(H,13,16)
InChIKeyNKWQNYOLZGUKNS-UHFFFAOYSA-N
XLogP1.20
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-sulfonamide
CID 62848316
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80825561
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 114598698
N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine (CID 114598850) is N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine is Cc1cnc(CNc2ncccc2S(C)(=O)=O)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is NKWQNYOLZGUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9-6-15-10(7-14-9)8-16-12-11(19(2,17)18)4-3-5-13-12/h3-7H,8H2,1-2H3,(H,13,16).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).