6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine

C15H19ClN6S — CID 118239454

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccncc3Cl)c(N)n2)CC1
InChIInChI=1S/C15H19ClN6S/c1-15(18)3-6-22(7-4-15)12-9-20-14(13(17)21-12)23-11-2-5-19-8-10(11)16/h2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,21)
InChIKeyBVRZFBXFDJRGAC-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.58
Rot. Bonds3

About 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine (PubChem CID 118239454) has the molecular formula C15H19ClN6S and a molecular weight of 350.88 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine
PubChem CID118239454
Molecular FormulaC15H19ClN6S
Molecular Weight350.88 g/mol
Exact Mass350.11
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccncc3Cl)c(N)n2)CC1
InChIInChI=1S/C15H19ClN6S/c1-15(18)3-6-22(7-4-15)12-9-20-14(13(17)21-12)23-11-2-5-19-8-10(11)16/h2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,21)
InChIKeyBVRZFBXFDJRGAC-UHFFFAOYSA-N
XLogP2.58
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine with MolForge

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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
US10301278, Example 3
CID 118239524
US10336774, Example 52
CID 118247752
US10301278, Example 30
CID 118248909
(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 124146374
US10858359, Example 74
CID 132223029
US10336774, Example 77
CID 118238297
US10336774, Example 91
CID 118247712
US10336774, Example 92
CID 118247725
US10336774, Example 65
CID 118247766
US10336774, Example 67
CID 118247770

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine (CID 118239454) is 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine is CC1(N)CCN(c2cnc(Sc3ccncc3Cl)c(N)n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The InChIKey is BVRZFBXFDJRGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6S/c1-15(18)3-6-22(7-4-15)12-9-20-14(13(17)21-12)23-11-2-5-19-8-10(11)16/h2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,21).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine has a molecular weight of 350.88 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 118239454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).