6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine

C10H9Cl2N5S — CID 142433969

IUPAC6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCNc1nccc(Sc2ncc(Cl)nc2N)c1Cl
InChIInChI=1S/C10H9Cl2N5S/c1-14-9-7(12)5(2-3-15-9)18-10-8(13)17-6(11)4-16-10/h2-4H,1H3,(H2,13,17)(H,14,15)
InChIKeyYLSBVEFVSUIZNA-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.95
Rot. Bonds3

About 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine

6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 142433969) has the molecular formula C10H9Cl2N5S and a molecular weight of 302.19 g/mol. Its IUPAC name is 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID142433969
Molecular FormulaC10H9Cl2N5S
Molecular Weight302.19 g/mol
Exact Mass301.00
IUPAC Name6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCNc1nccc(Sc2ncc(Cl)nc2N)c1Cl
InChIInChI=1S/C10H9Cl2N5S/c1-14-9-7(12)5(2-3-15-9)18-10-8(13)17-6(11)4-16-10/h2-4H,1H3,(H2,13,17)(H,14,15)
InChIKeyYLSBVEFVSUIZNA-UHFFFAOYSA-N
XLogP2.95
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118238414
US10301278, Example 42
CID 118239411
(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 124146374
3-[(5-Chloro-2-pyridyl)amino]-2-(2-pyridylsulfonyl)acrylonitrile
CID 2819589
5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine
CID 122192417
4-[5-(4-Amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 124146223
US10301278, Example 43
CID 91824784
US10336774, Example 79
CID 118238344
US10301278, Example 36
CID 118239454
US10301278, Example 39
CID 118239456
US10336774, Example 51
CID 118247760
US10336774, Example 27
CID 118247845

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine (CID 142433969) is 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine is CNc1nccc(Sc2ncc(Cl)nc2N)c1Cl.
What is the InChIKey of 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is YLSBVEFVSUIZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5S/c1-14-9-7(12)5(2-3-15-9)18-10-8(13)17-6(11)4-16-10/h2-4H,1H3,(H2,13,17)(H,14,15).
What are the key properties of 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 302.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 142433969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).