[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine

C12H14N4S — CID 102925265

IUPAC[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
SMILESCc1cc(C)nc(Sc2nccnc2CN)c1
InChIInChI=1S/C12H14N4S/c1-8-5-9(2)16-11(6-8)17-12-10(7-13)14-3-4-15-12/h3-6H,7,13H2,1-2H3
InChIKeyWIUSNHIZZQJYDQ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.10
Rot. Bonds3

About [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine

[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine (PubChem CID 102925265) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
PubChem CID102925265
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
SMILESCc1cc(C)nc(Sc2nccnc2CN)c1
InChIInChI=1S/C12H14N4S/c1-8-5-9(2)16-11(6-8)17-12-10(7-13)14-3-4-15-12/h3-6H,7,13H2,1-2H3
InChIKeyWIUSNHIZZQJYDQ-UHFFFAOYSA-N
XLogP2.10
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine?
The IUPAC name of [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine (CID 102925265) is [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine?
The canonical SMILES for [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine is Cc1cc(C)nc(Sc2nccnc2CN)c1.
What is the InChIKey of [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine?
The InChIKey is WIUSNHIZZQJYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-5-9(2)16-11(6-8)17-12-10(7-13)14-3-4-15-12/h3-6H,7,13H2,1-2H3.
What are the key properties of [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine?
[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine has a molecular weight of 246.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 102925265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).